Reaction Routes of
H2C2O4
Explored by
_
G_
R_
R_
M
at the Level of
B3LYP/6-31G*
© 2009 Koichi OHNO
Explored: EQ581 TS3932
C2h ENERGY= 0.0 kJ/mol ( -378.3194813 Hartree)
Energy+ZPE= 0.0 kJ/mol ZPE= 0.0495472
CONNECTIONS:
o TS0 ( 64.9) o EQ4
o TS1 ( 68.7) o EQ13
o TS2 ( 93.2) o EQ15
o TS3 (309.9) o EQ17
o TS4 (661.3) o EQ132
o TS5 (687.6) o EQ146
o TS6 (685.6) o EQ188
o TS7 (702.9) o EQ188
o TS8 (821.0) o EQ212
o TS9 (140.5) o DDC0
o TS10 (336.5) o DDC1
o TS11 (606.6) o DDC2
o TS12 (607.1) o DDC3
o UDC0 o
Cs ENERGY= 3.0 kJ/mol ( -378.3183268 Hartree)
Energy+ZPE= 1.1 kJ/mol ZPE= 0.0488130
CONNECTIONS:
o TS13 ( 53.1) o EQ8
o TS14 ( 32.4) o EQ11
o TS15 (566.1) o EQ56
o TS16 (594.6) o EQ102
o TS17 (778.4) o EQ118
o TS18 (879.5) o EQ164
o TS19 (897.4) o EQ173
o TS20 ( 34.0) o DDC4
o UDC1 o
o UDC2 o
Cs ENERGY= 4.3 kJ/mol ( -378.3178430 Hartree)
Energy+ZPE= 2.1 kJ/mol ZPE= 0.0487069
CONNECTIONS:
o TS21 ( 51.9) o EQ3
o TS22 (110.9) o EQ3
o TS23 ( 30.3) o EQ6
o TS24 ( 31.4) o EQ9
o TS25 (167.6) o EQ9
o TS26 (359.3) o EQ21
o TS27 (566.3) o EQ52
o TS28 (739.5) o EQ93
o TS29 (622.4) o EQ124
o TS30 (132.4) o DDC5
o TS31 (280.5) o DDC6
o UDC3 o
o UDC4 o
o UDC5 o
Cs ENERGY= 9.6 kJ/mol ( -378.3158213 Hartree)
Energy+ZPE= 6.6 kJ/mol ZPE= 0.0484104
CONNECTIONS:
o TS21 ( 51.9) o EQ2
o TS22 (110.9) o EQ2
o TS32 ( 67.0) o EQ9
o TS33 ( 38.5) o EQ11
o TS34 (362.5) o EQ17
o TS35 (365.9) o EQ25
o TS36 (554.5) o EQ38
o TS37 (555.9) o EQ42
o TS38 (445.0) o EQ55
o TS39 (731.6) o EQ69
o TS40 (588.9) o EQ93
o TS41 (600.1) o EQ105
o TS42 (618.8) o EQ127
o TS43 (132.1) o DDC7
o TS44 (168.2) o DDC8
o TS45 (270.6) o DDC9
o TS46 (405.0) o DDC10
o UDC6 o
o UDC7 o
o UDC8 o
Cs ENERGY= 10.6 kJ/mol ( -378.3154418 Hartree)
Energy+ZPE= 9.9 kJ/mol ZPE= 0.0492663
CONNECTIONS:
o TS0 ( 64.9) o EQ0
o TS47 (176.5) o EQ4
o TS48 (218.2) o EQ4
o TS49 ( 68.0) o EQ5
o TS50 (803.5) o EQ5
o TS51 ( 44.3) o EQ10
o TS52 (174.5) o EQ10
o TS53 (203.9) o EQ15
o TS54 (307.9) o EQ16
o TS55 (197.6) o EQ18
o TS56 (201.7) o EQ18
o TS57 (302.3) o EQ24
o TS58 (449.7) o EQ27
o TS59 (497.6) o EQ73
o TS60 (585.8) o EQ130
o TS61 (589.8) o EQ130
o TS62 (653.1) o EQ134
o TS63 (677.0) o EQ134
o TS64 (679.3) o EQ139
o TS65 (708.5) o EQ170
o TS66 (846.3) o EQ171
o TS67 (710.5) o EQ178
o TS68 (683.3) o EQ185
o TS69 (697.6) o EQ185
o TS70 (737.1) o EQ257
o TS71 (710.1) o EQ259
o TS72 (145.7) o DDC11
o TS73 (252.1) o DDC12
o TS74 (320.4) o DDC13
o TS75 (385.9) o DDC14
o TS76 (510.8) o DDC15
o TS77 (576.9) o DDC16
o UDC9 o
C2h ENERGY= 15.9 kJ/mol ( -378.3134422 Hartree)
Energy+ZPE= 14.6 kJ/mol ZPE= 0.0490446
CONNECTIONS:
o TS49 ( 68.0) o EQ4
o TS50 (803.5) o EQ4
o TS78 ( 22.0) o EQ7
o TS79 (301.2) o EQ23
o TS80 (677.1) o EQ99
o TS81 (705.2) o EQ171
o TS82 (705.2) o EQ175
o TS83 (692.0) o EQ215
o TS84 (821.7) o EQ218
o UDC10 o
o UDC11 o
C1 ENERGY= 15.9 kJ/mol ( -378.3134149 Hartree)
Energy+ZPE= 13.4 kJ/mol ZPE= 0.0486038
CONNECTIONS:
o TS23 ( 30.3) o EQ2
o TS85 ( 17.4) o EQ6
o TS86 (663.8) o EQ6
o TS87 (822.8) o EQ6
o TS88 (838.4) o EQ6
o TS89 ( 18.3) o EQ8
o TS90 (177.3) o EQ8
o TS91 ( 64.3) o EQ11
o TS92 (653.4) o EQ43
o TS93 (624.5) o EQ76
o TS94 (654.1) o EQ91
o TS95 (686.4) o EQ119
o TS96 (619.1) o EQ120
o TS97 (686.1) o EQ120
o TS98 (743.5) o EQ148
o TS99 (700.4) o EQ207
o TS100 (780.0) o EQ226
o TS101 (790.9) o EQ226
o TS102 (707.2) o EQ254
o TS103 (818.8) o EQ328
o TS104 (837.6) o EQ341
o TS105 (1086.9) o DDC17
o UDC12 o
o UDC13 o
C2v ENERGY= 17.6 kJ/mol ( -378.3127714 Hartree)
Energy+ZPE= 15.9 kJ/mol ZPE= 0.0489059
CONNECTIONS:
o TS78 ( 22.0) o EQ5
o TS106 ( 71.2) o EQ10
o TS107 (576.0) o EQ116
o TS108 (761.5) o EQ177
o TS109 (687.0) o EQ206
o TS110 (726.5) o EQ206
o TS111 (278.4) o DDC18
o UDC14 o
C1 ENERGY= 17.6 kJ/mol ( -378.3127680 Hartree)
Energy+ZPE= 15.0 kJ/mol ZPE= 0.0485552
CONNECTIONS:
o TS13 ( 53.1) o EQ1
o TS89 ( 18.3) o EQ6
o TS90 (177.3) o EQ6
o TS112 ( 22.8) o EQ8
o TS113 (135.4) o EQ8
o TS114 (771.6) o EQ8
o TS115 ( 35.8) o EQ9
o TS116 (372.0) o EQ27
o TS117 (484.6) o EQ31
o TS118 (487.4) o EQ31
o TS119 (597.6) o EQ43
o TS120 (598.4) o EQ43
o TS121 (566.0) o EQ57
o TS122 (568.1) o EQ76
o TS123 (573.2) o EQ76
o TS124 (693.0) o EQ200
o TS125 (171.2) o DDC19
o TS126 (474.0) o DDC20
o TS127 (639.9) o DDC21
o TS128 (708.8) o DDC22
o UDC15 o
C1 ENERGY= 17.7 kJ/mol ( -378.3127503 Hartree)
Energy+ZPE= 14.4 kJ/mol ZPE= 0.0483043
CONNECTIONS:
o TS24 ( 31.4) o EQ2
o TS25 (167.6) o EQ2
o TS32 ( 67.0) o EQ3
o TS115 ( 35.8) o EQ8
o TS129 (365.1) o EQ24
o TS130 (713.8) o EQ33
o TS131 (590.0) o EQ54
o TS132 (574.6) o EQ69
o TS133 (577.2) o EQ69
o TS134 (183.9) o DDC23
o TS135 (195.6) o DDC24
o TS136 (244.6) o DDC25
o TS137 (547.9) o DDC26
o UDC16 o
o UDC17 o
o UDC18 o
Cs ENERGY= 24.6 kJ/mol ( -378.3101072 Hartree)
Energy+ZPE= 22.4 kJ/mol ZPE= 0.0487153
CONNECTIONS:
o TS51 ( 44.3) o EQ4
o TS52 (174.5) o EQ4
o TS106 ( 71.2) o EQ7
o TS138 ( 80.1) o EQ13
o TS139 (456.1) o EQ27
o TS140 (580.9) o EQ117
o TS141 (738.6) o EQ178
o TS142 (698.7) o EQ220
o TS143 (175.1) o DDC27
o TS144 (285.3) o DDC28
o TS145 (287.3) o DDC29
o TS146 (319.8) o DDC30
o UDC19 o
[ EQ11 ] C1 ENERGY= 25.7 kJ/mol ( -378.3096758 Hartree)
Energy+ZPE= 22.1 kJ/mol ZPE= 0.0481774
CONNECTIONS:
o TS14 ( 32.4) o EQ1
o TS33 ( 38.5) o EQ3
o TS91 ( 64.3) o EQ6
o TS147 ( 26.8) o EQ11
o TS148 (130.5) o EQ11
o TS149 (661.5) o EQ11
o TS150 (380.8) o EQ28
o TS151 (562.0) o EQ58
o TS152 (724.9) o EQ94
o TS153 (596.5) o EQ112
o TS154 (733.1) o EQ112
o TS155 (619.3) o EQ119
o TS156 (726.1) o EQ120
o TS157 (828.2) o EQ157
o TS158 (777.1) o EQ228
o TS159 (792.7) o EQ228
o TS160 (793.4) o EQ234
o TS161 (923.3) o EQ331
o TS162 (924.4) o EQ331
o TS163 (918.4) o EQ334
o TS164 (852.9) o EQ350
o TS165 (169.6) o DDC31
o TS166 (702.1) o DDC32
o UDC20 o
o UDC21 o
o UDC22 o
[ EQ12 ] Cs ENERGY= 60.8 kJ/mol ( -378.2963161 Hartree)
Energy+ZPE= 62.0 kJ/mol ZPE= 0.0500184
CONNECTIONS:
o TS167 ( 82.9) o EQ14
o TS168 (134.0) o DDC33
o TS169 (416.4) o DDC34
o TS170 (802.1) o DDC35
o UDC23 o
o UDC24 o
[ EQ13 ] C2 ENERGY= 67.3 kJ/mol ( -378.2938355 Hartree)
Energy+ZPE= 63.5 kJ/mol ZPE= 0.0481167
CONNECTIONS:
o TS1 ( 68.7) o EQ0
o TS138 ( 80.1) o EQ10
o TS171 ( 90.8) o EQ13
o TS172 (584.0) o EQ116
[ EQ14 ] C1 ENERGY= 76.7 kJ/mol ( -378.2902528 Hartree)
Energy+ZPE= 77.0 kJ/mol ZPE= 0.0496454
CONNECTIONS:
o TS167 ( 82.9) o EQ12
o TS173 ( 77.3) o EQ14
o TS174 (151.6) o DDC36
o TS175 (819.3) o DDC37
o UDC25 o
o UDC26 o
[ EQ15 ] C2v ENERGY= 90.9 kJ/mol ( -378.2848714 Hartree)
Energy+ZPE= 87.4 kJ/mol ZPE= 0.0482204
CONNECTIONS:
o TS2 ( 93.2) o EQ0
o TS53 (203.9) o EQ4
o TS176 (168.5) o EQ15
o TS177 (593.2) o EQ123
o TS178 (251.9) o DDC38
[ EQ16 ] Cs ENERGY= 184.4 kJ/mol ( -378.2492365 Hartree)
Energy+ZPE= 178.9 kJ/mol ZPE= 0.0474657
CONNECTIONS:
o TS54 (307.9) o EQ4
o TS179 (250.6) o EQ23
o TS180 (226.1) o EQ26
o TS181 (193.0) o DDC39
o TS182 (335.2) o DDC40
o UDC27 o
[ EQ17 ] Cs ENERGY= 188.0 kJ/mol ( -378.2478696 Hartree)
Energy+ZPE= 183.9 kJ/mol ZPE= 0.0480025
CONNECTIONS:
o TS3 (309.9) o EQ0
o TS34 (362.5) o EQ3
o TS183 (253.9) o EQ24
o TS184 (225.4) o EQ25
o TS185 (273.3) o EQ28
o TS186 (274.8) o EQ29
o TS187 (790.2) o EQ266
o TS188 (197.0) o DDC41
o UDC28 o
o UDC29 o
[ EQ18 ] C1 ENERGY= 197.2 kJ/mol ( -378.2443767 Hartree)
Energy+ZPE= 190.6 kJ/mol ZPE= 0.0470314
CONNECTIONS:
o TS55 (197.6) o EQ4
o TS56 (201.7) o EQ4
[ EQ19 ] Cs ENERGY= 207.8 kJ/mol ( -378.2403222 Hartree)
Energy+ZPE= 201.4 kJ/mol ZPE= 0.0470915
CONNECTIONS:
o TS189 (248.8) o EQ20
o TS190 (255.9) o EQ22
o TS191 (293.0) o EQ27
o TS192 (248.9) o EQ30
o TS193 (213.7) o DDC42
o TS194 (334.3) o DDC43
o TS195 (396.8) o DDC44
o TS196 (399.4) o DDC45
o TS197 (577.4) o DDC46
[ EQ20 ] C1 ENERGY= 208.0 kJ/mol ( -378.2402457 Hartree)
Energy+ZPE= 201.8 kJ/mol ZPE= 0.0471966
CONNECTIONS:
o TS189 (248.8) o EQ19
o TS198 (446.6) o EQ20
o TS199 (292.4) o EQ21
o TS200 (292.6) o EQ21
o TS201 (214.6) o EQ23
o TS202 (257.4) o EQ26
o TS203 (319.6) o EQ26
o TS204 (348.2) o EQ28
o TS205 (862.3) o EQ282
o TS206 (328.1) o DDC47
o UDC30 o
o UDC31 o
o UDC32 o
[ EQ21 ] C1 ENERGY= 208.7 kJ/mol ( -378.2399855 Hartree)
Energy+ZPE= 204.4 kJ/mol ZPE= 0.0479194
CONNECTIONS:
o TS26 (359.3) o EQ2
o TS199 (292.4) o EQ20
o TS200 (292.6) o EQ20
o TS207 (215.4) o EQ24
o TS208 (368.1) o EQ24
o TS209 (257.6) o EQ25
o TS210 (437.8) o EQ26
o TS211 (244.6) o EQ27
o TS212 (941.1) o EQ256
o TS213 (881.0) o EQ288
o UDC33 o
o UDC34 o
o UDC35 o
[ EQ22 ] Cs ENERGY= 209.7 kJ/mol ( -378.2396027 Hartree)
Energy+ZPE= 202.7 kJ/mol ZPE= 0.0468818
CONNECTIONS:
o TS190 (255.9) o EQ19
o TS214 (256.1) o EQ26
o TS215 (299.2) o EQ28
o TS216 (315.9) o EQ28
o TS217 (306.0) o EQ29
o TS218 (281.7) o EQ30
o TS219 (952.9) o EQ287
o TS220 (214.2) o DDC48
o TS221 (334.6) o DDC49
o TS222 (358.1) o DDC50
[ EQ23 ] C1 ENERGY= 210.5 kJ/mol ( -378.2392975 Hartree)
Energy+ZPE= 204.1 kJ/mol ZPE= 0.0471081
CONNECTIONS:
o TS79 (301.2) o EQ5
o TS179 (250.6) o EQ16
o TS201 (214.6) o EQ20
o TS223 (254.5) o EQ30
o TS224 (761.9) o EQ195
o TS225 (939.0) o EQ253
o TS226 (325.4) o DDC51
o TS227 (374.7) o DDC52
o TS228 (405.9) o DDC53
[ EQ24 ] C1 ENERGY= 213.0 kJ/mol ( -378.2383574 Hartree)
Energy+ZPE= 208.5 kJ/mol ZPE= 0.0478339
CONNECTIONS:
o TS57 (302.3) o EQ4
o TS129 (365.1) o EQ9
o TS183 (253.9) o EQ17
o TS207 (215.4) o EQ21
o TS208 (368.1) o EQ21
o TS229 (213.6) o EQ24
o TS230 (249.2) o EQ27
o TS231 (764.3) o EQ197
o TS232 (767.8) o EQ197
o TS233 (384.4) o DDC54
o UDC36 o
o UDC37 o
[ EQ25 ] Cs ENERGY= 214.9 kJ/mol ( -378.2376365 Hartree)
Energy+ZPE= 209.9 kJ/mol ZPE= 0.0476323
CONNECTIONS:
o TS35 (365.9) o EQ3
o TS184 (225.4) o EQ17
o TS209 (257.6) o EQ21
o TS234 (300.1) o EQ26
o TS235 (252.8) o EQ28
o TS236 (746.0) o EQ129
o TS237 (798.1) o EQ284
o TS238 (359.0) o DDC55
o UDC38 o
o UDC39 o
[ EQ26 ] C1 ENERGY= 220.0 kJ/mol ( -378.2357020 Hartree)
Energy+ZPE= 212.6 kJ/mol ZPE= 0.0467204
CONNECTIONS:
o TS180 (226.1) o EQ16
o TS202 (257.4) o EQ20
o TS203 (319.6) o EQ20
o TS210 (437.8) o EQ21
o TS214 (256.1) o EQ22
o TS234 (300.1) o EQ25
o TS239 (349.2) o EQ27
o TS240 (920.0) o EQ248
o TS241 (795.9) o EQ282
o TS242 (862.4) o EQ284
o TS243 (344.1) o DDC56
o TS244 (366.8) o DDC57
o UDC40 o
[ EQ27 ] C1 ENERGY= 221.4 kJ/mol ( -378.2351408 Hartree)
Energy+ZPE= 216.0 kJ/mol ZPE= 0.0474894
CONNECTIONS:
o TS58 (449.7) o EQ4
o TS116 (372.0) o EQ8
o TS139 (456.1) o EQ10
o TS191 (293.0) o EQ19
o TS211 (244.6) o EQ21
o TS230 (249.2) o EQ24
o TS239 (349.2) o EQ26
o TS245 (228.2) o EQ27
o TS246 (238.6) o EQ27
o TS247 (384.5) o EQ27
o TS248 (264.1) o EQ28
o TS249 (270.4) o EQ28
o TS250 (328.9) o EQ28
o TS251 (297.5) o EQ30
o TS252 (926.6) o EQ273
o TS253 (980.5) o EQ418
o TS254 (367.0) o DDC58
o TS255 (369.8) o DDC59
o TS256 (391.8) o DDC60
o TS257 (575.1) o DDC61
o TS258 (1099.7) o DDC62
[ EQ28 ] C1 ENERGY= 229.0 kJ/mol ( -378.2322586 Hartree)
Energy+ZPE= 223.1 kJ/mol ZPE= 0.0473032
CONNECTIONS:
o TS150 (380.8) o EQ11
o TS185 (273.3) o EQ17
o TS204 (348.2) o EQ20
o TS215 (299.2) o EQ22
o TS216 (315.9) o EQ22
o TS235 (252.8) o EQ25
o TS248 (264.1) o EQ27
o TS249 (270.4) o EQ27
o TS250 (328.9) o EQ27
o TS259 (231.7) o EQ28
o TS260 (235.3) o EQ29
o TS261 (564.8) o EQ37
o TS262 (923.6) o EQ264
o TS263 (351.3) o DDC63
o TS264 (357.0) o DDC64
o TS265 (475.3) o DDC65
o UDC41 o
[ EQ29 ] C1 ENERGY= 232.1 kJ/mol ( -378.2310971 Hartree)
Energy+ZPE= 225.8 kJ/mol ZPE= 0.0471647
CONNECTIONS:
o TS186 (274.8) o EQ17
o TS217 (306.0) o EQ22
o TS260 (235.3) o EQ28
o TS266 (921.4) o EQ252
o TS267 (286.3) o DDC66
o UDC42 o
o UDC43 o
[ EQ30 ] C1 ENERGY= 236.7 kJ/mol ( -378.2293220 Hartree)
Energy+ZPE= 229.0 kJ/mol ZPE= 0.0466169
CONNECTIONS:
o TS192 (248.9) o EQ19
o TS218 (281.7) o EQ22
o TS223 (254.5) o EQ23
o TS251 (297.5) o EQ27
o TS268 (236.8) o EQ30
o TS269 (274.9) o DDC67
o TS270 (384.4) o DDC68
o UDC44 o
[ EQ31 ] C2 ENERGY= 277.0 kJ/mol ( -378.2139900 Hartree)
Energy+ZPE= 269.6 kJ/mol ZPE= 0.0467227
CONNECTIONS:
o TS117 (484.6) o EQ8
o TS118 (487.4) o EQ8
o TS271 (283.1) o EQ31
o TS272 (335.9) o EQ31
o TS273 (408.6) o EQ31
o TS274 (416.4) o EQ31
o TS275 (528.3) o EQ31
o TS276 (634.8) o EQ31
o TS277 (673.0) o EQ31
o TS278 (702.1) o EQ31
o TS279 (702.3) o EQ31
o TS280 (1348.7) o EQ31
o TS281 (337.6) o EQ33
o TS282 (564.4) o EQ33
o TS283 (545.1) o EQ52
o TS284 (534.2) o EQ53
o TS285 (502.4) o EQ84
o TS286 (558.2) o EQ91
o TS287 (564.3) o EQ125
o TS288 (571.3) o EQ125
o TS289 (607.0) o EQ147
o TS290 (611.7) o EQ147
o TS291 (676.0) o EQ147
o TS292 (888.7) o EQ280
o TS293 (1070.4) o EQ399
o TS294 (976.2) o EQ412
o TS295 (1398.6) o EQ522
o TS296 (1406.7) o EQ562
o TS297 (1410.8) o EQ566
o TS298 (1453.1) o EQ575
o TS299 (464.5) o DDC69
o TS300 (549.8) o DDC70
o TS301 (871.3) o DDC71
o TS302 (1130.8) o DDC72
o TS303 (1675.6) o DDC73
[ EQ32 ] C1 ENERGY= 283.0 kJ/mol ( -378.2116882 Hartree)
Energy+ZPE= 283.5 kJ/mol ZPE= 0.0497360
CONNECTIONS:
o TS304 (293.5) o EQ32
o TS305 (751.9) o EQ66
o TS306 (489.5) o EQ83
o TS307 (585.9) o EQ145
o TS308 (612.8) o EQ153
o TS309 (438.3) o DDC74
o TS310 (463.1) o DDC75
o TS311 (478.0) o DDC76
o TS312 (568.9) o DDC77
o TS313 (594.1) o DDC78
o TS314 (686.2) o DDC79
o UDC45 o
[ EQ33 ] C1 ENERGY= 286.7 kJ/mol ( -378.2102713 Hartree)
Energy+ZPE= 278.4 kJ/mol ZPE= 0.0463930
CONNECTIONS:
o TS130 (713.8) o EQ9
o TS281 (337.6) o EQ31
o TS282 (564.4) o EQ31
o TS315 (289.0) o EQ33
o TS316 (320.4) o EQ33
o TS317 (443.0) o EQ33
o TS318 (542.6) o EQ33
o TS319 (552.6) o EQ33
o TS320 (337.2) o EQ34
o TS321 (343.6) o EQ34
o TS322 (581.5) o EQ34
o TS323 (466.6) o EQ46
o TS324 (528.3) o EQ52
o TS325 (592.8) o EQ54
o TS326 (583.3) o EQ55
o TS327 (635.2) o EQ71
o TS328 (475.7) o EQ74
o TS329 (619.6) o EQ92
o TS330 (525.5) o EQ108
o TS331 (549.9) o EQ121
o TS332 (572.8) o EQ135
o TS333 (688.9) o EQ191
o TS334 (987.0) o EQ351
o TS335 (961.5) o EQ413
o TS336 (961.7) o EQ413
o TS337 (1286.0) o EQ525
o TS338 (1302.5) o EQ526
o TS339 (463.8) o DDC80
o TS340 (548.9) o DDC81
o TS341 (549.3) o DDC82
o TS342 (560.9) o DDC83
o TS343 (726.4) o DDC84
o TS344 (1017.5) o DDC85
o UDC46 o
o UDC47 o
[ EQ34 ] C2 ENERGY= 288.4 kJ/mol ( -378.2096175 Hartree)
Energy+ZPE= 279.5 kJ/mol ZPE= 0.0461469
CONNECTIONS:
o TS320 (337.2) o EQ33
o TS321 (343.6) o EQ33
o TS322 (581.5) o EQ33
o TS345 (289.9) o EQ34
o TS346 (574.3) o EQ52
o TS347 (639.9) o EQ79
o TS348 (972.7) o EQ413
o TS349 (598.6) o DDC86
o UDC48 o
[ EQ35 ] C2v ENERGY= 295.7 kJ/mol ( -378.2068731 Hartree)
Energy+ZPE= 288.7 kJ/mol ZPE= 0.0468921
CONNECTIONS:
o TS350 (309.5) o EQ36
o TS351 (334.1) o DDC87
o TS352 (389.0) o DDC88
[ EQ36 ] C1 ENERGY= 297.9 kJ/mol ( -378.2060287 Hartree)
Energy+ZPE= 290.1 kJ/mol ZPE= 0.0465651
CONNECTIONS:
o TS350 (309.5) o EQ35
o TS353 (297.9) o EQ36
o TS354 (314.8) o EQ37
o TS355 (916.8) o EQ136
o TS356 (340.7) o DDC89
o TS357 (377.9) o DDC90
o TS358 (399.5) o DDC91
o TS359 (439.6) o DDC92
o TS360 (486.9) o DDC93
o TS361 (967.2) o DDC94
[ EQ37 ] C2 ENERGY= 312.2 kJ/mol ( -378.2005675 Hartree)
Energy+ZPE= 305.3 kJ/mol ZPE= 0.0469074
CONNECTIONS:
o TS261 (564.8) o EQ28
o TS354 (314.8) o EQ36
[ EQ38 ] Cs ENERGY= 341.7 kJ/mol ( -378.1893180 Hartree)
Energy+ZPE= 333.0 kJ/mol ZPE= 0.0462468
CONNECTIONS:
o TS36 (554.5) o EQ3
o TS362 (356.9) o EQ39
o TS363 (355.8) o EQ40
o TS364 (750.5) o EQ40
o TS365 (1061.4) o EQ48
o TS366 (404.1) o EQ50
o TS367 (570.2) o EQ58
o TS368 (1059.1) o EQ62
o TS369 (797.1) o EQ82
o TS370 (543.2) o EQ109
o TS371 (637.9) o EQ113
o TS372 (670.6) o EQ156
o TS373 (1007.3) o EQ168
o TS374 (689.2) o EQ184
o TS375 (859.4) o EQ301
o TS376 (982.4) o EQ370
o TS377 (979.9) o EQ375
o TS378 (1112.8) o EQ382
o TS379 (1125.3) o EQ420
o TS380 (1066.6) o EQ470
o TS381 (1082.2) o EQ473
o TS382 (564.1) o DDC95
o TS383 (577.8) o DDC96
o TS384 (795.5) o DDC97
o TS385 (850.1) o DDC98
o TS386 (986.9) o DDC99
o UDC49 o
[ EQ39 ] Cs ENERGY= 343.2 kJ/mol ( -378.1887687 Hartree)
Energy+ZPE= 334.6 kJ/mol ZPE= 0.0462637
CONNECTIONS:
o TS362 (356.9) o EQ38
o TS387 (360.2) o EQ42
o TS388 (536.6) o EQ42
o TS389 (406.5) o EQ45
o TS390 (568.3) o EQ57
o TS391 (560.9) o EQ77
o TS392 (529.7) o EQ82
o TS393 (632.9) o EQ99
o TS394 (807.5) o EQ301
o TS395 (1046.5) o EQ372
o TS396 (1048.8) o EQ375
o TS397 (1067.5) o EQ405
o TS398 (993.0) o EQ423
o TS399 (1306.4) o EQ505
o TS400 (1160.8) o DDC100
o UDC50 o
[ EQ40 ] Cs ENERGY= 353.7 kJ/mol ( -378.1847740 Hartree)
Energy+ZPE= 343.7 kJ/mol ZPE= 0.0457431
CONNECTIONS:
o TS363 (355.8) o EQ38
o TS364 (750.5) o EQ38
o TS401 (983.4) o EQ42
o TS402 (403.5) o EQ43
o TS403 (1066.0) o EQ45
o TS404 (1292.0) o EQ156
o TS405 (689.5) o EQ192
o TS406 (969.1) o EQ423
o TS407 (1066.1) o EQ471
o TS408 (1118.8) o EQ500
o TS409 (578.5) o DDC101
o TS410 (582.8) o DDC102
o TS411 (587.7) o DDC103
o UDC51 o
o UDC52 o
[ EQ41 ] C1 ENERGY= 355.5 kJ/mol ( -378.1840844 Hartree)
Energy+ZPE= 352.0 kJ/mol ZPE= 0.0482159
CONNECTIONS:
o TS412 (567.2) o EQ41
o TS413 (609.0) o EQ41
o TS414 (531.9) o EQ43
o TS415 (564.2) o EQ43
o TS416 (375.2) o EQ44
o TS417 (378.1) o EQ44
o TS418 (718.8) o EQ51
o TS419 (534.4) o EQ56
o TS420 (599.3) o EQ60
o TS421 (571.6) o EQ90
o TS422 (624.4) o EQ90
o TS423 (582.0) o EQ104
o TS424 (608.9) o EQ132
o TS425 (666.6) o EQ133
o TS426 (668.7) o EQ133
o TS427 (468.2) o DDC104
o TS428 (476.2) o DDC105
o TS429 (530.0) o DDC106
o TS430 (532.1) o DDC107
o TS431 (542.2) o DDC108
o TS432 (680.1) o DDC109
o TS433 (708.2) o DDC110
o TS434 (819.4) o DDC111
o UDC53 o
o UDC54 o
[ EQ42 ] Cs ENERGY= 359.3 kJ/mol ( -378.1826277 Hartree)
Energy+ZPE= 349.0 kJ/mol ZPE= 0.0456053
CONNECTIONS:
o TS37 (555.9) o EQ3
o TS387 (360.2) o EQ39
o TS388 (536.6) o EQ39
o TS401 (983.4) o EQ40
o TS435 (416.7) o EQ48
o TS436 (557.2) o EQ76
o TS437 (1126.6) o EQ483
o TS438 (1200.4) o EQ499
o TS439 (1126.7) o DDC112
o UDC55 o
o UDC56 o
[ EQ43 ] C1 ENERGY= 360.7 kJ/mol ( -378.1820982 Hartree)
Energy+ZPE= 351.7 kJ/mol ZPE= 0.0461331
CONNECTIONS:
o TS92 (653.4) o EQ6
o TS119 (597.6) o EQ8
o TS120 (598.4) o EQ8
o TS402 (403.5) o EQ40
o TS414 (531.9) o EQ41
o TS415 (564.2) o EQ41
o TS440 (368.8) o EQ43
o TS441 (617.4) o EQ43
o TS442 (368.4) o EQ45
o TS443 (373.3) o EQ50
o TS444 (1058.0) o EQ64
o TS445 (820.4) o EQ103
o TS446 (559.3) o EQ104
o TS447 (648.8) o EQ118
o TS448 (603.7) o EQ150
o TS449 (658.9) o EQ162
o TS450 (673.9) o EQ162
o TS451 (674.9) o EQ166
o TS452 (921.1) o EQ184
o TS453 (918.1) o EQ194
o TS454 (811.3) o EQ201
o TS455 (690.7) o EQ217
o TS456 (1022.9) o EQ316
o TS457 (914.3) o EQ384
o TS458 (1020.9) o EQ445
o TS459 (1086.1) o EQ447
o TS460 (1328.1) o EQ454
o TS461 (1087.5) o EQ459
o TS462 (1268.5) o EQ466
o TS463 (541.7) o DDC113
o TS464 (547.2) o DDC114
o TS465 (558.0) o DDC115
o TS466 (579.1) o DDC116
o TS467 (579.7) o DDC117
o TS468 (591.7) o DDC118
o TS469 (605.4) o DDC119
o TS470 (657.5) o DDC120
o TS471 (704.4) o DDC121
o TS472 (920.0) o DDC122
o TS473 (921.7) o DDC123
o TS474 (929.9) o DDC124
o TS475 (1142.5) o DDC125
[ EQ44 ] C1 ENERGY= 364.4 kJ/mol ( -378.1806764 Hartree)
Energy+ZPE= 360.3 kJ/mol ZPE= 0.0479702
CONNECTIONS:
o TS416 (375.2) o EQ41
o TS417 (378.1) o EQ41
o TS476 (601.8) o EQ44
o TS477 (632.7) o EQ44
o TS478 (649.3) o EQ64
o TS479 (607.4) o EQ75
o TS480 (626.7) o EQ99
o TS481 (611.4) o EQ107
o TS482 (623.1) o EQ107
o TS483 (613.7) o EQ134
o TS484 (671.1) o EQ151
o TS485 (635.9) o EQ162
o TS486 (764.6) o EQ183
o TS487 (823.8) o EQ301
o TS488 (1090.6) o EQ301
o TS489 (1009.3) o EQ318
o TS490 (1054.7) o EQ447
o TS491 (1046.0) o EQ459
o TS492 (548.2) o DDC126
o TS493 (571.5) o DDC127
o TS494 (702.3) o DDC128
o TS495 (813.5) o DDC129
o TS496 (833.1) o DDC130
o TS497 (945.3) o DDC131
o UDC57 o
o UDC58 o
[ EQ45 ] C1 ENERGY= 368.3 kJ/mol ( -378.1792007 Hartree)
Energy+ZPE= 357.7 kJ/mol ZPE= 0.0455064
CONNECTIONS:
o TS389 (406.5) o EQ39
o TS403 (1066.0) o EQ40
o TS442 (368.4) o EQ43
o TS498 (595.6) o EQ45
o TS499 (616.5) o EQ45
o TS500 (371.7) o EQ48
o TS501 (371.9) o EQ48
o TS502 (596.8) o EQ50
o TS503 (597.7) o EQ50
o TS504 (1062.9) o EQ62
o TS505 (584.2) o EQ93
o TS506 (588.1) o EQ95
o TS507 (708.8) o EQ99
o TS508 (822.5) o EQ99
o TS509 (644.0) o EQ168
o TS510 (667.3) o EQ179
o TS511 (1041.1) o EQ447
o TS512 (1068.7) o EQ451
o TS513 (1070.5) o EQ454
o TS514 (1108.7) o EQ486
o TS515 (628.1) o DDC132
o TS516 (631.1) o DDC133
o TS517 (646.4) o DDC134
o TS518 (659.3) o DDC135
[ EQ46 ] C1 ENERGY= 369.2 kJ/mol ( -378.1788493 Hartree)
Energy+ZPE= 363.5 kJ/mol ZPE= 0.0473719
CONNECTIONS:
o TS323 (466.6) o EQ33
o TS519 (561.5) o EQ46
o TS520 (389.0) o EQ53
o TS521 (416.0) o EQ54
o TS522 (571.6) o EQ84
o TS523 (537.3) o EQ87
o TS524 (548.1) o EQ94
o TS525 (570.5) o EQ110
o TS526 (729.5) o EQ140
o TS527 (1063.0) o EQ477
o TS528 (1105.3) o EQ477
o TS529 (1123.3) o EQ490
o TS530 (558.1) o DDC136
o TS531 (812.1) o DDC137
o UDC59 o
[ EQ47 ] Cs ENERGY= 370.3 kJ/mol ( -378.1784526 Hartree)
Energy+ZPE= 365.2 kJ/mol ZPE= 0.0475901
CONNECTIONS:
o TS532 (421.1) o EQ49
o TS533 (377.9) o EQ51
o TS534 (525.5) o EQ51
o TS535 (860.6) o EQ60
o TS536 (554.1) o EQ67
o TS537 (559.4) o EQ75
o TS538 (720.8) o EQ206
o TS539 (722.2) o EQ215
o TS540 (714.2) o EQ258
o TS541 (958.9) o EQ389
o TS542 (1057.6) o EQ468
o TS543 (1091.9) o EQ468
o TS544 (1083.1) o EQ502
o TS545 (629.8) o DDC138
o TS546 (643.6) o DDC139
o UDC60 o
o UDC61 o
o UDC62 o
[ EQ48 ] C1 ENERGY= 371.0 kJ/mol ( -378.1781855 Hartree)
Energy+ZPE= 360.4 kJ/mol ZPE= 0.0455004
CONNECTIONS:
o TS365 (1061.4) o EQ38
o TS435 (416.7) o EQ42
o TS500 (371.7) o EQ45
o TS501 (371.9) o EQ45
o TS547 (631.9) o EQ48
o TS548 (374.0) o EQ50
o TS549 (726.4) o EQ134
o TS550 (670.1) o EQ153
o TS551 (640.8) o EQ168
o TS552 (747.1) o EQ231
o TS553 (700.3) o EQ237
o TS554 (810.6) o EQ301
o TS555 (1073.6) o EQ451
o TS556 (1055.7) o EQ459
o TS557 (1108.8) o EQ486
o TS558 (535.0) o DDC140
o TS559 (552.7) o DDC141
o TS560 (558.9) o DDC142
o TS561 (598.2) o DDC143
o TS562 (630.3) o DDC144
o TS563 (634.9) o DDC145
o TS564 (639.0) o DDC146
o UDC63 o
[ EQ49 ] C1 ENERGY= 371.9 kJ/mol ( -378.1778313 Hartree)
Energy+ZPE= 366.6 kJ/mol ZPE= 0.0475404
CONNECTIONS:
o TS532 (421.1) o EQ47
o TS565 (372.2) o EQ49
o TS566 (405.7) o EQ49
o TS567 (428.6) o EQ51
o TS568 (537.5) o EQ60
o TS569 (574.3) o EQ60
o TS570 (563.3) o EQ70
o TS571 (585.6) o EQ88
o TS572 (598.3) o EQ90
o TS573 (683.2) o EQ123
o TS574 (730.3) o EQ127
o TS575 (831.7) o EQ140
o TS576 (614.8) o EQ159
o TS577 (866.2) o EQ179
o TS578 (697.3) o EQ208
o TS579 (701.8) o EQ230
o TS580 (743.9) o EQ257
o TS581 (724.6) o EQ268
o TS582 (1082.3) o EQ329
o TS583 (868.5) o EQ343
o TS584 (916.5) o EQ375
o TS585 (959.0) o EQ388
o TS586 (1068.7) o EQ458
o TS587 (1084.1) o EQ499
o TS588 (1087.9) o EQ499
o TS589 (522.2) o DDC147
o TS590 (524.1) o DDC148
o TS591 (629.9) o DDC149
o TS592 (693.5) o DDC150
o TS593 (733.6) o DDC151
o TS594 (742.0) o DDC152
o TS595 (983.8) o DDC153
o TS596 (1013.6) o DDC154
o TS3898 (1043.3) o xx
o UDC64 o
o UDC65 o
[ EQ50 ] C1 ENERGY= 372.6 kJ/mol ( -378.1775639 Hartree)
Energy+ZPE= 361.6 kJ/mol ZPE= 0.0453460
CONNECTIONS:
o TS366 (404.1) o EQ38
o TS443 (373.3) o EQ43
o TS502 (596.8) o EQ45
o TS503 (597.7) o EQ45
o TS548 (374.0) o EQ48
o TS597 (375.1) o EQ50
o TS598 (618.4) o EQ50
o TS599 (563.1) o EQ60
o TS600 (722.0) o EQ113
o TS601 (637.9) o EQ150
o TS602 (1195.1) o EQ179
o TS603 (668.4) o EQ182
o TS604 (770.5) o EQ271
o TS605 (1243.0) o EQ512
o TS606 (592.4) o DDC155
o TS607 (597.2) o DDC156
o TS608 (601.3) o DDC157
o TS609 (624.5) o DDC158
o TS610 (861.3) o DDC159
[ EQ51 ] Cs ENERGY= 374.1 kJ/mol ( -378.1770020 Hartree)
Energy+ZPE= 368.8 kJ/mol ZPE= 0.0475296
CONNECTIONS:
o TS418 (718.8) o EQ41
o TS533 (377.9) o EQ47
o TS534 (525.5) o EQ47
o TS567 (428.6) o EQ49
o TS611 (556.5) o EQ68
o TS612 (563.2) o EQ75
o TS613 (600.1) o EQ99
o TS614 (726.4) o EQ124
o TS615 (1056.5) o EQ464
o TS616 (1100.6) o EQ464
o TS617 (1054.3) o EQ466
o TS618 (1098.4) o EQ466
o TS619 (1058.1) o EQ474
o TS620 (1077.4) o EQ485
o TS621 (532.7) o DDC160
o TS622 (743.8) o DDC161
o TS623 (765.9) o DDC162
o UDC66 o
o UDC67 o
o UDC68 o
[ EQ52 ] Cs ENERGY= 375.3 kJ/mol ( -378.1765238 Hartree)
Energy+ZPE= 369.0 kJ/mol ZPE= 0.0471500
CONNECTIONS:
o TS27 (566.3) o EQ2
o TS283 (545.1) o EQ31
o TS324 (528.3) o EQ33
o TS346 (574.3) o EQ34
o TS624 (402.6) o EQ53
o TS625 (393.2) o EQ54
o TS626 (551.4) o EQ74
o TS627 (538.9) o EQ92
o TS628 (724.6) o EQ137
o TS629 (989.1) o EQ413
o TS630 (1068.1) o EQ477
o TS631 (1069.3) o EQ484
o TS632 (517.2) o DDC163
o TS633 (545.1) o DDC164
o TS634 (593.9) o DDC165
o TS635 (686.6) o DDC166
o TS636 (759.7) o DDC167
o UDC69 o
o UDC70 o
o UDC71 o
[ EQ53 ] Cs ENERGY= 384.2 kJ/mol ( -378.1731467 Hartree)
Energy+ZPE= 377.9 kJ/mol ZPE= 0.0471536
CONNECTIONS:
o TS284 (534.2) o EQ31
o TS520 (389.0) o EQ46
o TS624 (402.6) o EQ52
o UDC72 o
o UDC73 o
o UDC74 o
[ EQ54 ] Cs ENERGY= 387.2 kJ/mol ( -378.1720019 Hartree)
Energy+ZPE= 380.4 kJ/mol ZPE= 0.0469703
CONNECTIONS:
o TS131 (590.0) o EQ9
o TS325 (592.8) o EQ33
o TS521 (416.0) o EQ46
o TS625 (393.2) o EQ52
o TS637 (550.9) o EQ96
o TS638 (591.5) o EQ97
o TS639 (720.2) o EQ127
o TS640 (990.4) o EQ412
o UDC75 o
o UDC76 o
[ EQ55 ] C1 ENERGY= 401.2 kJ/mol ( -378.1666569 Hartree)
Energy+ZPE= 388.7 kJ/mol ZPE= 0.0447891
CONNECTIONS:
o TS38 (445.0) o EQ3
o TS326 (583.3) o EQ33
o TS641 (422.9) o EQ55
o TS642 (753.9) o EQ55
o TS643 (886.2) o EQ70
o TS644 (558.7) o EQ79
o TS645 (563.3) o EQ79
o TS646 (833.0) o EQ244
o TS647 (765.7) o EQ288
o TS648 (743.1) o EQ290
o TS649 (432.0) o DDC168
o TS650 (443.5) o DDC169
o TS651 (453.2) o DDC170
o TS652 (737.0) o DDC171
o TS653 (782.6) o DDC172
[ EQ56 ] Cs ENERGY= 402.9 kJ/mol ( -378.1660264 Hartree)
Energy+ZPE= 394.8 kJ/mol ZPE= 0.0464707
CONNECTIONS:
o TS15 (566.1) o EQ1
o TS419 (534.4) o EQ41
o TS654 (434.3) o EQ57
o TS655 (446.6) o EQ58
o TS656 (445.6) o EQ65
o TS657 (445.8) o EQ65
o TS658 (589.6) o EQ82
o TS659 (512.7) o EQ90
o TS660 (676.3) o EQ104
o TS661 (670.8) o EQ118
o TS662 (783.8) o EQ181
o TS663 (1026.9) o EQ447
o TS664 (1134.4) o EQ495
o TS665 (570.0) o DDC173
o TS666 (581.2) o DDC174
o TS667 (655.0) o DDC175
o TS668 (671.0) o DDC176
o TS669 (687.4) o DDC177
o TS670 (838.0) o DDC178
o UDC77 o
[ EQ57 ] Cs ENERGY= 410.1 kJ/mol ( -378.1632775 Hartree)
Energy+ZPE= 400.9 kJ/mol ZPE= 0.0460563
CONNECTIONS:
o TS121 (566.0) o EQ8
o TS390 (568.3) o EQ39
o TS654 (434.3) o EQ56
o TS671 (425.6) o EQ58
o TS672 (530.2) o EQ99
o TS673 (889.1) o EQ308
o TS674 (1297.1) o EQ308
o TS675 (1042.1) o EQ330
o TS676 (1135.0) o EQ483
o TS677 (708.9) o DDC179
o UDC78 o
o UDC79 o
[ EQ58 ] Cs ENERGY= 418.5 kJ/mol ( -378.1601020 Hartree)
Energy+ZPE= 408.8 kJ/mol ZPE= 0.0458418
CONNECTIONS:
o TS151 (562.0) o EQ11
o TS367 (570.2) o EQ38
o TS655 (446.6) o EQ56
o TS671 (425.6) o EQ57
o TS678 (903.1) o EQ67
o TS679 (908.4) o EQ70
o TS680 (556.6) o EQ99
o TS681 (789.5) o EQ175
o TS682 (838.6) o EQ200
o TS683 (1143.2) o EQ363
o TS684 (1014.0) o EQ391
o TS685 (1141.8) o EQ483
o TS686 (1337.7) o EQ568
o TS687 (564.0) o DDC180
o TS688 (744.2) o DDC181
o TS689 (786.0) o DDC182
o UDC80 o
o UDC81 o
[ EQ59 ] C1 ENERGY= 433.4 kJ/mol ( -378.1544218 Hartree)
Energy+ZPE= 411.3 kJ/mol ZPE= 0.0411290
CONNECTIONS:
o TS690 (435.2) o DDC183
o TS691 (446.7) o DDC184
o TS692 (456.1) o DDC185
[ EQ60 ] Cs ENERGY= 437.2 kJ/mol ( -378.1529797 Hartree)
Energy+ZPE= 429.8 kJ/mol ZPE= 0.0467158
CONNECTIONS:
o TS420 (599.3) o EQ41
o TS535 (860.6) o EQ47
o TS568 (537.5) o EQ49
o TS569 (574.3) o EQ49
o TS599 (563.1) o EQ50
o TS693 (475.6) o EQ62
o TS694 (469.3) o EQ64
o TS695 (611.7) o EQ70
o TS696 (513.1) o EQ75
o TS697 (1010.9) o EQ75
o TS698 (512.2) o EQ98
o TS699 (572.2) o EQ120
o TS700 (762.1) o EQ182
o TS701 (874.9) o EQ307
o TS702 (809.7) o EQ316
o TS703 (813.9) o EQ316
o TS704 (973.1) o EQ330
o TS705 (936.1) o EQ363
o TS706 (882.7) o EQ367
o TS707 (1020.4) o EQ389
o TS708 (1308.5) o EQ394
o TS709 (490.8) o DDC186
o TS710 (603.0) o DDC187
o TS711 (858.8) o DDC188
o TS712 (909.8) o DDC189
[ EQ61 ] C1 ENERGY= 439.3 kJ/mol ( -378.1521568 Hartree)
Energy+ZPE= 430.4 kJ/mol ZPE= 0.0461476
CONNECTIONS:
o TS713 (490.4) o EQ61
o TS714 (442.4) o EQ63
o TS715 (471.5) o EQ63
o TS716 (472.9) o EQ64
o TS717 (484.4) o EQ64
o TS718 (705.4) o EQ225
o TS719 (710.4) o EQ231
o TS720 (1029.5) o EQ445
o TS721 (544.6) o DDC190
o TS722 (554.5) o DDC191
o UDC82 o
[ EQ62 ] C1 ENERGY= 441.2 kJ/mol ( -378.1514526 Hartree)
Energy+ZPE= 432.8 kJ/mol ZPE= 0.0463642
CONNECTIONS:
o TS368 (1059.1) o EQ38
o TS504 (1062.9) o EQ45
o TS693 (475.6) o EQ60
o TS723 (496.7) o EQ62
o TS724 (470.5) o EQ63
o TS725 (487.1) o EQ63
o TS726 (471.6) o EQ64
o TS727 (706.2) o EQ217
o TS728 (762.6) o EQ225
o TS729 (1079.2) o EQ364
o TS730 (1067.3) o EQ447
o TS731 (1054.3) o EQ470
o TS732 (1054.2) o EQ471
o TS733 (1057.9) o EQ478
o TS734 (1063.0) o EQ479
o TS735 (503.9) o DDC192
o TS736 (524.8) o DDC193
o TS737 (631.4) o DDC194
o TS738 (777.7) o DDC195
o UDC83 o
o UDC84 o
[ EQ63 ] C1 ENERGY= 441.2 kJ/mol ( -378.1514428 Hartree)
Energy+ZPE= 432.1 kJ/mol ZPE= 0.0460810
CONNECTIONS:
o TS714 (442.4) o EQ61
o TS715 (471.5) o EQ61
o TS724 (470.5) o EQ62
o TS725 (487.1) o EQ62
o TS739 (642.1) o EQ111
o TS740 (651.7) o EQ114
o TS741 (710.1) o EQ230
o TS742 (708.1) o EQ231
o TS743 (709.7) o EQ239
o TS744 (482.2) o DDC196
o TS745 (547.0) o DDC197
o TS746 (652.2) o DDC198
o TS747 (675.6) o DDC199
o UDC85 o
[ EQ64 ] C1 ENERGY= 444.6 kJ/mol ( -378.1501425 Hartree)
Energy+ZPE= 436.2 kJ/mol ZPE= 0.0463325
CONNECTIONS:
o TS444 (1058.0) o EQ43
o TS478 (649.3) o EQ44
o TS694 (469.3) o EQ60
o TS716 (472.9) o EQ61
o TS717 (484.4) o EQ61
o TS726 (471.6) o EQ62
o TS748 (711.3) o EQ237
o TS749 (777.3) o EQ239
o TS750 (938.6) o EQ357
o TS751 (1075.3) o EQ459
o TS752 (1058.9) o EQ471
o TS753 (541.9) o DDC200
o TS754 (1086.6) o DDC201
o UDC86 o
[ EQ65 ] C1 ENERGY= 445.5 kJ/mol ( -378.1498047 Hartree)
Energy+ZPE= 433.7 kJ/mol ZPE= 0.0450656
CONNECTIONS:
o TS656 (445.6) o EQ56
o TS657 (445.8) o EQ56
o TS755 (569.4) o EQ90
o TS756 (627.2) o EQ109
o TS757 (1141.7) o EQ357
o TS758 (1346.4) o EQ571
[ EQ66 ] C2v ENERGY= 450.5 kJ/mol ( -378.1478988 Hartree)
Energy+ZPE= 447.5 kJ/mol ZPE= 0.0484170
CONNECTIONS:
o TS305 (751.9) o EQ32
o TS759 (691.3) o EQ66
o TS760 (582.2) o EQ83
o TS761 (606.1) o EQ143
o TS762 (624.4) o DDC202
o TS763 (859.4) o DDC203
o TS764 (1154.2) o DDC204
o UDC87 o
[ EQ67 ] Cs ENERGY= 457.9 kJ/mol ( -378.1450764 Hartree)
Energy+ZPE= 450.8 kJ/mol ZPE= 0.0468615
CONNECTIONS:
o TS536 (554.1) o EQ47
o TS678 (903.1) o EQ58
o TS765 (490.9) o EQ68
o TS766 (610.9) o EQ68
o TS767 (508.0) o EQ70
o TS768 (604.6) o EQ75
o TS769 (626.7) o EQ101
o TS770 (756.8) o EQ263
o TS771 (858.9) o EQ322
o TS772 (1205.5) o EQ468
o TS773 (1083.7) o EQ504
o TS774 (1144.7) o EQ509
o TS775 (758.5) o DDC205
o TS776 (890.8) o DDC206
o UDC88 o
o UDC89 o
o UDC90 o
o UDC91 o
o UDC92 o
[ EQ68 ] Cs ENERGY= 460.6 kJ/mol ( -378.1440432 Hartree)
Energy+ZPE= 453.5 kJ/mol ZPE= 0.0468398
CONNECTIONS:
o TS611 (556.5) o EQ51
o TS765 (490.9) o EQ67
o TS766 (610.9) o EQ67
o TS777 (608.4) o EQ78
o TS778 (515.6) o EQ88
o TS779 (765.8) o EQ248
o TS780 (1159.4) o EQ392
o TS781 (890.7) o DDC207
o TS782 (1140.6) o DDC208
o UDC93 o
o UDC94 o
o UDC95 o
o UDC96 o
[ EQ69 ] Cs ENERGY= 468.4 kJ/mol ( -378.1410633 Hartree)
Energy+ZPE= 454.8 kJ/mol ZPE= 0.0443527
CONNECTIONS:
o TS39 (731.6) o EQ3
o TS132 (574.6) o EQ9
o TS133 (577.2) o EQ9
o TS783 (789.8) o EQ69
o TS784 (494.5) o EQ76
o TS785 (478.1) o EQ77
o TS786 (602.7) o EQ93
o TS787 (606.7) o EQ93
o TS788 (800.4) o EQ93
o TS789 (776.9) o EQ297
o TS790 (798.2) o EQ297
o TS791 (778.6) o EQ304
o TS792 (813.6) o EQ304
o TS793 (513.7) o DDC209
o TS794 (590.0) o DDC210
o TS795 (593.3) o DDC211
o TS796 (964.9) o DDC212
o UDC97 o
o UDC98 o
o UDC99 o
o UDC100 o
[ EQ70 ] Cs ENERGY= 471.7 kJ/mol ( -378.1398219 Hartree)
Energy+ZPE= 464.2 kJ/mol ZPE= 0.0466803
CONNECTIONS:
o TS570 (563.3) o EQ49
o TS643 (886.2) o EQ55
o TS679 (908.4) o EQ58
o TS695 (611.7) o EQ60
o TS767 (508.0) o EQ67
o TS797 (511.7) o EQ88
o TS798 (647.0) o EQ114
o TS799 (749.9) o EQ225
o TS800 (768.6) o EQ230
o TS801 (762.1) o EQ244
o TS802 (751.9) o EQ251
o TS803 (732.1) o EQ274
o TS804 (1100.6) o EQ438
o TS805 (1024.3) o EQ445
o TS806 (1030.0) o EQ449
o TS807 (1096.1) o EQ498
o TS808 (1088.4) o EQ504
o TS809 (732.4) o DDC213
o TS810 (875.7) o DDC214
o TS811 (1081.0) o DDC215
o TS812 (1123.1) o DDC216
o UDC101 o
o UDC102 o
o UDC103 o
[ EQ71 ] C1 ENERGY= 473.0 kJ/mol ( -378.1393231 Hartree)
Energy+ZPE= 463.3 kJ/mol ZPE= 0.0458531
CONNECTIONS:
o TS327 (635.2) o EQ33
o TS813 (475.1) o EQ71
o TS814 (516.5) o EQ71
o TS815 (541.3) o EQ72
o TS816 (544.4) o EQ72
o TS817 (534.3) o EQ79
o TS818 (537.4) o EQ79
o TS819 (758.6) o EQ140
o TS820 (789.8) o EQ315
o TS821 (489.9) o DDC217
o TS822 (489.9) o DDC218
o TS823 (562.4) o DDC219
o TS824 (569.6) o DDC220
o TS825 (855.3) o DDC221
o UDC104 o
[ EQ72 ] C1 ENERGY= 473.3 kJ/mol ( -378.1392166 Hartree)
Energy+ZPE= 461.8 kJ/mol ZPE= 0.0451483
CONNECTIONS:
o TS815 (541.3) o EQ71
o TS816 (544.4) o EQ71
o TS826 (475.0) o EQ72
o TS827 (515.3) o EQ72
o TS828 (533.5) o EQ80
o TS829 (536.1) o EQ80
o TS830 (537.2) o EQ80
o TS831 (698.9) o EQ199
o TS832 (815.1) o EQ248
o TS833 (883.7) o EQ367
o TS834 (1037.7) o EQ408
o TS835 (495.5) o DDC222
o TS836 (538.8) o DDC223
o TS837 (557.2) o DDC224
o TS838 (603.3) o DDC225
o TS839 (829.1) o DDC226
[ EQ73 ] C1 ENERGY= 473.4 kJ/mol ( -378.1391901 Hartree)
Energy+ZPE= 458.7 kJ/mol ZPE= 0.0439473
CONNECTIONS:
o TS59 (497.6) o EQ4
o TS840 (500.9) o EQ73
o TS841 (501.0) o EQ73
o TS842 (509.0) o EQ73
o TS843 (518.4) o EQ73
o TS844 (628.6) o EQ73
o TS845 (616.0) o EQ86
o TS846 (523.8) o EQ100
o TS847 (776.4) o EQ123
o TS848 (991.7) o EQ129
o TS849 (748.5) o EQ130
o TS850 (751.5) o EQ131
o TS851 (766.9) o EQ134
o TS852 (686.5) o EQ185
o TS853 (741.3) o EQ195
o TS854 (685.2) o EQ206
o TS855 (696.0) o EQ215
o TS856 (692.1) o EQ220
o TS857 (695.1) o EQ241
o TS858 (692.1) o EQ242
o TS859 (703.2) o EQ260
o TS860 (717.5) o EQ263
o TS861 (719.1) o EQ263
o TS862 (853.0) o EQ263
o TS863 (723.6) o EQ281
o TS864 (847.5) o EQ313
o TS865 (1111.8) o EQ489
o TS866 (501.4) o DDC227
o TS867 (502.6) o DDC228
o TS868 (521.3) o DDC229
o TS869 (724.6) o DDC230
o TS870 (895.1) o DDC231
o TS871 (917.8) o DDC232
o TS872 (1022.5) o DDC233
o UDC105 o
[ EQ74 ] Cs ENERGY= 474.2 kJ/mol ( -378.1388678 Hartree)
Energy+ZPE= 463.4 kJ/mol ZPE= 0.0454151
CONNECTIONS:
o TS328 (475.7) o EQ33
o TS626 (551.4) o EQ52
o TS873 (611.6) o EQ92
o TS874 (518.0) o EQ97
o TS875 (846.1) o EQ347
o TS876 (483.3) o DDC234
[ EQ75 ] Cs ENERGY= 474.4 kJ/mol ( -378.1388073 Hartree)
Energy+ZPE= 467.8 kJ/mol ZPE= 0.0470294
CONNECTIONS:
o TS479 (607.4) o EQ44
o TS537 (559.4) o EQ47
o TS612 (563.2) o EQ51
o TS696 (513.1) o EQ60
o TS697 (1010.9) o EQ60
o TS768 (604.6) o EQ67
o TS877 (487.0) o EQ78
o TS878 (624.6) o EQ78
o TS879 (570.3) o EQ119
o TS880 (870.8) o EQ147
o TS881 (766.9) o EQ179
o TS882 (755.5) o EQ260
o TS883 (884.8) o EQ313
o TS884 (887.7) o EQ313
o TS885 (931.6) o EQ348
o TS886 (595.0) o DDC235
o TS887 (890.1) o DDC236
o UDC106 o
o UDC107 o
[ EQ76 ] Cs ENERGY= 475.1 kJ/mol ( -378.1385410 Hartree)
Energy+ZPE= 460.9 kJ/mol ZPE= 0.0441230
CONNECTIONS:
o TS93 (624.5) o EQ6
o TS122 (568.1) o EQ8
o TS123 (573.2) o EQ8
o TS436 (557.2) o EQ42
o TS784 (494.5) o EQ69
o TS888 (487.8) o EQ85
o TS889 (615.9) o EQ95
o TS890 (617.5) o EQ95
o TS891 (624.6) o EQ102
o TS892 (682.6) o EQ201
o TS893 (679.8) o EQ204
o TS894 (833.0) o EQ221
o TS895 (806.3) o EQ300
o TS896 (830.2) o EQ300
o TS897 (794.4) o EQ311
o TS898 (907.4) o EQ311
o TS899 (975.8) o EQ338
o TS900 (501.6) o DDC237
o TS901 (577.8) o DDC238
o TS902 (936.2) o DDC239
o UDC108 o
o UDC109 o
o UDC110 o
[ EQ77 ] Cs ENERGY= 475.5 kJ/mol ( -378.1383550 Hartree)
Energy+ZPE= 461.9 kJ/mol ZPE= 0.0443605
CONNECTIONS:
o TS391 (560.9) o EQ39
o TS785 (478.1) o EQ69
o TS903 (832.3) o EQ205
o TS904 (587.3) o DDC240
o TS905 (591.3) o DDC241
o TS906 (664.1) o DDC242
o TS907 (973.4) o DDC243
o UDC111 o
[ EQ78 ] Cs ENERGY= 476.6 kJ/mol ( -378.1379663 Hartree)
Energy+ZPE= 469.4 kJ/mol ZPE= 0.0468049
CONNECTIONS:
o TS777 (608.4) o EQ68
o TS877 (487.0) o EQ75
o TS878 (624.6) o EQ75
o TS908 (530.4) o EQ98
o TS909 (719.2) o EQ113
o TS910 (1013.5) o EQ133
o TS911 (692.2) o EQ202
o TS912 (930.8) o EQ348
o TS913 (798.4) o DDC244
o UDC112 o
[ EQ79 ] C1 ENERGY= 477.6 kJ/mol ( -378.1375722 Hartree)
Energy+ZPE= 466.7 kJ/mol ZPE= 0.0453882
CONNECTIONS:
o TS347 (639.9) o EQ34
o TS644 (558.7) o EQ55
o TS645 (563.3) o EQ55
o TS817 (534.3) o EQ71
o TS818 (537.4) o EQ71
o TS914 (477.8) o EQ79
o TS915 (501.4) o EQ79
o TS916 (549.0) o EQ80
o TS917 (562.4) o EQ90
o TS918 (765.9) o EQ302
o TS919 (491.2) o DDC245
o TS920 (627.6) o DDC246
o TS921 (750.5) o DDC247
[ EQ80 ] C1 ENERGY= 481.1 kJ/mol ( -378.1362329 Hartree)
Energy+ZPE= 468.7 kJ/mol ZPE= 0.0448319
CONNECTIONS:
o TS828 (533.5) o EQ72
o TS829 (536.1) o EQ72
o TS830 (537.2) o EQ72
o TS916 (549.0) o EQ79
o TS922 (483.2) o EQ80
o TS923 (498.7) o EQ80
o TS924 (566.3) o EQ99
o TS925 (788.4) o EQ317
o TS926 (501.2) o DDC248
o TS927 (505.6) o DDC249
o TS928 (552.6) o DDC250
o TS929 (613.6) o DDC251
o TS930 (622.1) o DDC252
o TS931 (800.6) o DDC253
[ EQ81 ] C1 ENERGY= 484.0 kJ/mol ( -378.1351494 Hartree)
Energy+ZPE= 469.9 kJ/mol ZPE= 0.0441706
CONNECTIONS:
o TS932 (495.9) o EQ86
o TS933 (507.3) o EQ86
o TS934 (528.9) o EQ86
o TS935 (531.3) o EQ86
o TS936 (546.3) o EQ86
o TS937 (608.9) o EQ90
o TS938 (608.0) o EQ99
o TS939 (636.5) o EQ100
o TS940 (645.7) o EQ129
o TS941 (646.4) o EQ129
o TS942 (652.3) o EQ132
o TS943 (744.3) o EQ132
o TS944 (747.2) o EQ134
o TS945 (706.5) o EQ170
o TS946 (1041.2) o EQ215
o TS947 (1023.9) o EQ227
o TS948 (729.4) o EQ250
o TS949 (821.2) o EQ292
o TS950 (836.6) o EQ292
o TS951 (1029.8) o EQ450
o TS952 (1027.4) o EQ452
o TS953 (490.8) o DDC254
o TS954 (579.2) o DDC255
o TS955 (584.2) o DDC256
o TS956 (611.1) o DDC257
o TS957 (749.0) o DDC258
o TS958 (848.2) o DDC259
o TS959 (1014.6) o DDC260
[ EQ82 ] Cs ENERGY= 484.9 kJ/mol ( -378.1348059 Hartree)
Energy+ZPE= 477.7 kJ/mol ZPE= 0.0467948
CONNECTIONS:
o TS369 (797.1) o EQ38
o TS392 (529.7) o EQ39
o TS658 (589.6) o EQ56
o TS960 (623.2) o EQ90
o TS961 (864.1) o EQ90
o TS962 (563.4) o EQ109
o TS963 (558.8) o EQ118
o TS964 (851.8) o EQ267
o TS965 (810.3) o EQ290
o TS966 (780.7) o EQ293
o TS967 (791.3) o DDC261
o TS968 (858.9) o DDC262
o TS969 (1005.7) o DDC263
o UDC113 o
o UDC114 o
[ EQ83 ] Cs ENERGY= 485.0 kJ/mol ( -378.1347679 Hartree)
Energy+ZPE= 461.9 kJ/mol ZPE= 0.0407484
CONNECTIONS:
o TS306 (489.5) o EQ32
o TS760 (582.2) o EQ66
o TS970 (485.4) o DDC264
o TS971 (509.3) o DDC265
[ EQ84 ] Cs ENERGY= 485.1 kJ/mol ( -378.1347030 Hartree)
Energy+ZPE= 476.9 kJ/mol ZPE= 0.0464195
CONNECTIONS:
o TS285 (502.4) o EQ31
o TS522 (571.6) o EQ46
o TS972 (608.9) o EQ87
o TS973 (528.1) o EQ97
o TS974 (701.2) o EQ125
o TS975 (701.3) o EQ125
o TS976 (977.2) o EQ169
o TS977 (848.9) o EQ300
o TS978 (968.2) o EQ393
o TS979 (694.5) o DDC266
o TS980 (1190.0) o DDC267
o TS981 (1193.3) o DDC268
o UDC115 o
o UDC116 o
[ EQ85 ] Cs ENERGY= 487.3 kJ/mol ( -378.1338704 Hartree)
Energy+ZPE= 472.3 kJ/mol ZPE= 0.0438161
CONNECTIONS:
o TS888 (487.8) o EQ76
o UDC117 o
[ EQ86 ] C1 ENERGY= 488.0 kJ/mol ( -378.1336267 Hartree)
Energy+ZPE= 474.2 kJ/mol ZPE= 0.0442737
CONNECTIONS:
o TS845 (616.0) o EQ73
o TS932 (495.9) o EQ81
o TS933 (507.3) o EQ81
o TS934 (528.9) o EQ81
o TS935 (531.3) o EQ81
o TS936 (546.3) o EQ81
o TS982 (745.2) o EQ116
o TS983 (658.2) o EQ128
o TS984 (641.5) o EQ129
o TS985 (644.2) o EQ134
o TS986 (661.3) o EQ141
o TS987 (703.5) o EQ171
o TS988 (726.7) o EQ241
o TS989 (820.7) o EQ294
o TS990 (760.9) o EQ299
o TS991 (1046.6) o EQ424
o TS992 (1326.7) o EQ559
o TS993 (1330.7) o EQ563
o TS994 (550.3) o DDC269
o TS995 (577.1) o DDC270
o TS996 (578.3) o DDC271
o TS997 (728.3) o DDC272
o TS998 (1016.5) o DDC273
[ EQ87 ] Cs ENERGY= 489.1 kJ/mol ( -378.1331908 Hartree)
Energy+ZPE= 479.8 kJ/mol ZPE= 0.0460178
CONNECTIONS:
o TS523 (537.3) o EQ46
o TS972 (608.9) o EQ84
o TS999 (655.9) o EQ87
o TS1000 (508.9) o EQ94
o TS1001 (607.4) o EQ95
o TS1002 (532.9) o EQ96
o TS1003 (850.0) o EQ252
o TS1004 (975.1) o EQ329
o TS1005 (1357.1) o EQ562
o TS1006 (1389.6) o EQ573
o TS1007 (706.2) o DDC274
o TS1008 (870.0) o DDC275
o UDC118 o
o UDC119 o
o UDC120 o
o UDC121 o
[ EQ88 ] Cs ENERGY= 492.3 kJ/mol ( -378.1319733 Hartree)
Energy+ZPE= 483.6 kJ/mol ZPE= 0.0462175
CONNECTIONS:
o TS571 (585.6) o EQ49
o TS778 (515.6) o EQ68
o TS797 (511.7) o EQ70
o TS1009 (639.0) o EQ98
o TS1010 (647.0) o EQ114
o TS1011 (938.9) o EQ386
o TS1012 (902.9) o DDC276
o UDC122 o
o UDC123 o
o UDC124 o
o UDC125 o
[ EQ89 ] Cs ENERGY= 496.3 kJ/mol ( -378.1304381 Hartree)
Energy+ZPE= 484.8 kJ/mol ZPE= 0.0451712
CONNECTIONS:
o TS1013 (505.8) o EQ93
o TS1014 (523.8) o EQ95
o TS1015 (607.1) o EQ96
o TS1016 (546.5) o EQ105
o TS1017 (852.6) o EQ256
o TS1018 (615.8) o DDC277
o UDC126 o
o UDC127 o
[ EQ90 ] Cs ENERGY= 497.1 kJ/mol ( -378.1301399 Hartree)
Energy+ZPE= 488.4 kJ/mol ZPE= 0.0462231
CONNECTIONS:
o TS421 (571.6) o EQ41
o TS422 (624.4) o EQ41
o TS572 (598.3) o EQ49
o TS659 (512.7) o EQ56
o TS755 (569.4) o EQ65
o TS917 (562.4) o EQ79
o TS937 (608.9) o EQ81
o TS960 (623.2) o EQ82
o TS961 (864.1) o EQ82
o TS1019 (542.7) o EQ99
o TS1020 (585.8) o EQ119
o TS1021 (567.1) o EQ122
o TS1022 (1015.6) o EQ133
o TS1023 (1018.7) o EQ361
o TS1024 (1113.4) o EQ483
o TS1025 (1136.1) o EQ495
o TS1026 (848.3) o DDC278
o TS1027 (1016.7) o DDC279
o TS1028 (1129.2) o DDC280
o UDC128 o
[ EQ91 ] C2v ENERGY= 497.4 kJ/mol ( -378.1300425 Hartree)
Energy+ZPE= 495.9 kJ/mol ZPE= 0.0489918
CONNECTIONS:
o TS94 (654.1) o EQ6
o TS286 (558.2) o EQ31
[ EQ92 ] C1 ENERGY= 501.4 kJ/mol ( -378.1285179 Hartree)
Energy+ZPE= 490.8 kJ/mol ZPE= 0.0455217
CONNECTIONS:
o TS329 (619.6) o EQ33
o TS627 (538.9) o EQ52
o TS873 (611.6) o EQ74
o TS1029 (501.8) o EQ92
o TS1030 (522.0) o EQ94
o TS1031 (519.7) o EQ96
o TS1032 (617.0) o EQ105
o TS1033 (848.2) o EQ244
o TS1034 (745.0) o EQ276
o TS1035 (1387.1) o EQ573
o TS1036 (648.0) o DDC281
o TS1037 (1016.8) o DDC282
o UDC129 o
[ EQ93 ] Cs ENERGY= 501.8 kJ/mol ( -378.1283578 Hartree)
Energy+ZPE= 489.4 kJ/mol ZPE= 0.0448249
CONNECTIONS:
o TS28 (739.5) o EQ2
o TS40 (588.9) o EQ3
o TS505 (584.2) o EQ45
o TS786 (602.7) o EQ69
o TS787 (606.7) o EQ69
o TS788 (800.4) o EQ69
o TS1013 (505.8) o EQ89
o TS1038 (531.9) o EQ102
o TS1039 (555.4) o EQ115
o TS1040 (815.0) o EQ304
o TS1041 (614.0) o DDC283
o UDC130 o
o UDC131 o
o UDC132 o
[ EQ94 ] Cs ENERGY= 503.0 kJ/mol ( -378.1279029 Hartree)
Energy+ZPE= 492.5 kJ/mol ZPE= 0.0455521
CONNECTIONS:
o TS152 (724.9) o EQ11
o TS524 (548.1) o EQ46
o TS1000 (508.9) o EQ87
o TS1030 (522.0) o EQ92
o TS1042 (1330.7) o EQ94
o TS1043 (617.6) o EQ106
o TS1044 (996.3) o EQ346
o TS1045 (1055.9) o EQ404
o TS1046 (1324.2) o EQ558
o TS1047 (1362.6) o EQ562
o TS1048 (1338.6) o EQ570
o TS1049 (1415.8) o DDC284
o UDC133 o
o UDC134 o
o UDC135 o
o UDC136 o
[ EQ95 ] Cs ENERGY= 505.8 kJ/mol ( -378.1268269 Hartree)
Energy+ZPE= 493.9 kJ/mol ZPE= 0.0450019
CONNECTIONS:
o TS506 (588.1) o EQ45
o TS889 (615.9) o EQ76
o TS890 (617.5) o EQ76
o TS1001 (607.4) o EQ87
o TS1014 (523.8) o EQ89
o TS1050 (630.4) o EQ95
o TS1051 (810.6) o EQ95
o TS1052 (518.9) o EQ102
o TS1053 (534.0) o EQ106
o TS1054 (724.7) o EQ166
o TS1055 (864.6) o EQ275
o TS1056 (785.6) o EQ300
o TS1057 (832.8) o EQ306
o TS1058 (738.5) o DDC285
o UDC137 o
o UDC138 o
[ EQ96 ] Cs ENERGY= 507.7 kJ/mol ( -378.1261214 Hartree)
Energy+ZPE= 497.0 kJ/mol ZPE= 0.0454585
CONNECTIONS:
o TS637 (550.9) o EQ54
o TS1002 (532.9) o EQ87
o TS1015 (607.1) o EQ89
o TS1031 (519.7) o EQ92
o TS1059 (627.3) o EQ97
o TS1060 (900.6) o EQ304
o UDC139 o
o UDC140 o
o UDC141 o
o UDC142 o
[ EQ97 ] Cs ENERGY= 508.3 kJ/mol ( -378.1258907 Hartree)
Energy+ZPE= 498.6 kJ/mol ZPE= 0.0458400
CONNECTIONS:
o TS638 (591.5) o EQ54
o TS874 (518.0) o EQ74
o TS973 (528.1) o EQ84
o TS1059 (627.3) o EQ96
o TS1061 (722.7) o EQ147
o TS1062 (910.1) o DDC286
o UDC143 o
o UDC144 o
o UDC145 o
o UDC146 o
[ EQ98 ] C1 ENERGY= 510.6 kJ/mol ( -378.1250088 Hartree)
Energy+ZPE= 501.4 kJ/mol ZPE= 0.0460548
CONNECTIONS:
o TS698 (512.2) o EQ60
o TS908 (530.4) o EQ78
o TS1009 (639.0) o EQ88
o TS1063 (748.1) o EQ122
o TS1064 (1028.9) o EQ151
o TS1065 (701.3) o EQ227
o TS1066 (919.6) o EQ353
o UDC147 o
o UDC148 o
[ EQ99 ] Cs ENERGY= 512.7 kJ/mol ( -378.1242073 Hartree)
Energy+ZPE= 502.5 kJ/mol ZPE= 0.0456631
CONNECTIONS:
o TS80 (677.1) o EQ5
o TS393 (632.9) o EQ39
o TS480 (626.7) o EQ44
o TS507 (708.8) o EQ45
o TS508 (822.5) o EQ45
o TS613 (600.1) o EQ51
o TS672 (530.2) o EQ57
o TS680 (556.6) o EQ58
o TS924 (566.3) o EQ80
o TS938 (608.0) o EQ81
o TS1019 (542.7) o EQ90
o TS1067 (548.1) o EQ113
o TS1068 (588.3) o EQ119
o TS1069 (1070.6) o EQ151
o TS1070 (1111.0) o EQ454
o TS1071 (822.9) o DDC287
o TS1072 (838.8) o DDC288
o UDC149 o
[ EQ100 ] C1 ENERGY= 513.4 kJ/mol ( -378.1239366 Hartree)
Energy+ZPE= 498.4 kJ/mol ZPE= 0.0438233
CONNECTIONS:
o TS846 (523.8) o EQ73
o TS939 (636.5) o EQ81
o TS1073 (663.3) o EQ100
o TS1074 (521.1) o EQ101
o TS1075 (521.8) o EQ101
o TS1076 (554.8) o EQ111
o TS1077 (557.3) o EQ111
o TS1078 (691.4) o EQ185
o TS1079 (842.8) o EQ190
o TS1080 (701.6) o EQ220
o TS1081 (781.7) o EQ282
o TS1082 (868.9) o EQ314
o TS1083 (993.2) o EQ439
o TS1084 (1054.0) o EQ457
o UDC150 o
[ EQ101 ] C1 ENERGY= 514.0 kJ/mol ( -378.1237167 Hartree)
Energy+ZPE= 501.1 kJ/mol ZPE= 0.0446475
CONNECTIONS:
o TS769 (626.7) o EQ67
o TS1074 (521.1) o EQ100
o TS1075 (521.8) o EQ100
o TS1085 (662.9) o EQ101
o TS1086 (559.4) o EQ114
o TS1087 (560.1) o EQ114
o TS1088 (826.8) o EQ186
o TS1089 (828.6) o EQ186
o TS1090 (689.6) o EQ206
o TS1091 (774.2) o EQ253
[ EQ102 ] C1 ENERGY= 516.5 kJ/mol ( -378.1227616 Hartree)
Energy+ZPE= 503.1 kJ/mol ZPE= 0.0444352
CONNECTIONS:
o TS16 (594.6) o EQ1
o TS891 (624.6) o EQ76
o TS1038 (531.9) o EQ93
o TS1052 (518.9) o EQ95
o TS1092 (722.7) o EQ167
o TS1093 (873.7) o EQ283
o UDC151 o
o UDC152 o
[ EQ103 ] C1 ENERGY= 517.0 kJ/mol ( -378.1225790 Hartree)
Energy+ZPE= 511.8 kJ/mol ZPE= 0.0475627
CONNECTIONS:
o TS445 (820.4) o EQ43
o TS1094 (533.9) o EQ103
o TS1095 (873.0) o EQ162
o TS1096 (820.6) o EQ180
o TS1097 (751.9) o EQ271
o TS1098 (894.4) o EQ285
o TS1099 (943.0) o EQ285
o TS1100 (1164.4) o EQ508
o TS1101 (582.9) o DDC289
o TS1102 (675.4) o DDC290
o TS1103 (835.9) o DDC291
o TS1104 (854.1) o DDC292
o TS1105 (961.4) o DDC293
o UDC153 o
[ EQ104 ] C1 ENERGY= 517.1 kJ/mol ( -378.1225292 Hartree)
Energy+ZPE= 509.6 kJ/mol ZPE= 0.0466924
CONNECTIONS:
o TS423 (582.0) o EQ41
o TS446 (559.3) o EQ43
o TS660 (676.3) o EQ56
o TS1106 (532.9) o EQ107
o TS1107 (537.9) o EQ107
o TS1108 (814.0) o EQ124
o TS1109 (731.3) o EQ170
o TS1110 (696.9) o EQ176
o TS1111 (702.6) o EQ176
o TS1112 (607.8) o DDC294
o TS1113 (628.0) o DDC295
o TS1114 (652.5) o DDC296
o TS1115 (865.2) o DDC297
[ EQ105 ] C1 ENERGY= 520.3 kJ/mol ( -378.1213077 Hartree)
Energy+ZPE= 507.5 kJ/mol ZPE= 0.0446770
CONNECTIONS:
o TS41 (600.1) o EQ3
o TS1016 (546.5) o EQ89
o TS1032 (617.0) o EQ92
o TS1116 (521.3) o EQ105
o TS1117 (535.8) o EQ105
o TS1118 (530.0) o EQ106
o TS1119 (616.5) o DDC298
o TS1120 (618.8) o DDC299
o TS1121 (637.9) o DDC300
o TS1122 (644.6) o DDC301
o TS1123 (673.9) o DDC302
o TS1124 (714.7) o DDC303
o TS1125 (719.7) o DDC304
o TS1126 (742.6) o DDC305
o TS1127 (812.1) o DDC306
o UDC154 o
[ EQ106 ] Cs ENERGY= 521.3 kJ/mol ( -378.1209422 Hartree)
Energy+ZPE= 508.2 kJ/mol ZPE= 0.0445533
CONNECTIONS:
o TS1043 (617.6) o EQ94
o TS1053 (534.0) o EQ95
o TS1118 (530.0) o EQ105
o TS1128 (534.1) o EQ112
o TS1129 (634.3) o EQ112
o TS1130 (685.4) o EQ204
o UDC155 o
o UDC156 o
[ EQ107 ] C1 ENERGY= 522.0 kJ/mol ( -378.1206655 Hartree)
Energy+ZPE= 514.5 kJ/mol ZPE= 0.0466769
CONNECTIONS:
o TS481 (611.4) o EQ44
o TS482 (623.1) o EQ44
o TS1106 (532.9) o EQ104
o TS1107 (537.9) o EQ104
o TS1131 (812.6) o EQ140
o TS1132 (739.6) o EQ178
o TS1133 (705.9) o EQ183
o TS1134 (708.5) o EQ183
o TS1135 (625.4) o DDC307
o TS1136 (641.2) o DDC308
o TS1137 (670.3) o DDC309
o TS1138 (693.3) o DDC310
o TS1139 (790.7) o DDC311
o UDC157 o
o UDC158 o
[ EQ108 ] Cs ENERGY= 523.9 kJ/mol ( -378.1199485 Hartree)
Energy+ZPE= 506.5 kJ/mol ZPE= 0.0429289
CONNECTIONS:
o TS330 (525.5) o EQ33
o TS1140 (527.6) o EQ110
[ EQ109 ] Cs ENERGY= 524.7 kJ/mol ( -378.1196414 Hartree)
Energy+ZPE= 515.0 kJ/mol ZPE= 0.0458596
CONNECTIONS:
o TS370 (543.2) o EQ38
o TS756 (627.2) o EQ65
o TS962 (563.4) o EQ82
o TS1141 (660.2) o EQ122
o TS1142 (916.5) o EQ160
o TS1143 (766.6) o EQ168
o TS1144 (871.9) o EQ277
o UDC159 o
o UDC160 o
[ EQ110 ] Cs ENERGY= 525.5 kJ/mol ( -378.1193137 Hartree)
Energy+ZPE= 508.0 kJ/mol ZPE= 0.0428823
CONNECTIONS:
o TS525 (570.5) o EQ46
o TS1140 (527.6) o EQ108
o UDC161 o
[ EQ111 ] C1 ENERGY= 529.7 kJ/mol ( -378.1177369 Hartree)
Energy+ZPE= 513.8 kJ/mol ZPE= 0.0434876
CONNECTIONS:
o TS739 (642.1) o EQ63
o TS1076 (554.8) o EQ100
o TS1077 (557.3) o EQ100
o TS1145 (558.6) o EQ111
o TS1146 (537.2) o EQ114
o TS1147 (541.6) o EQ114
o TS1148 (702.8) o EQ188
o TS1149 (837.5) o EQ198
o TS1150 (713.3) o EQ257
o TS1151 (879.1) o EQ312
o TS1152 (918.6) o EQ352
o TS1153 (986.9) o EQ432
o TS1154 (991.4) o EQ437
o TS1155 (544.4) o DDC312
o UDC162 o
[ EQ112 ] Cs ENERGY= 530.3 kJ/mol ( -378.1175025 Hartree)
Energy+ZPE= 515.9 kJ/mol ZPE= 0.0440497
CONNECTIONS:
o TS153 (596.5) o EQ11
o TS154 (733.1) o EQ11
o TS1128 (534.1) o EQ106
o TS1129 (634.3) o EQ106
o TS1156 (847.4) o EQ144
o TS1157 (839.0) o EQ306
o TS1158 (1342.8) o EQ571
o TS1159 (615.1) o DDC313
o TS1160 (647.8) o DDC314
o TS1161 (662.9) o DDC315
o TS1162 (723.9) o DDC316
o TS1163 (726.3) o DDC317
o TS1164 (733.9) o DDC318
o TS1165 (746.2) o DDC319
o TS1166 (1348.1) o DDC320
o UDC163 o
o UDC164 o
[ EQ113 ] Cs ENERGY= 531.7 kJ/mol ( -378.1169671 Hartree)
Energy+ZPE= 520.9 kJ/mol ZPE= 0.0454290
CONNECTIONS:
o TS371 (637.9) o EQ38
o TS600 (722.0) o EQ50
o TS909 (719.2) o EQ78
o TS1067 (548.1) o EQ99
o TS1167 (562.8) o EQ122
o TS1168 (822.4) o EQ125
o TS1169 (702.3) o EQ202
o TS1170 (700.7) o EQ222
o TS1171 (898.2) o EQ294
o TS1172 (811.9) o DDC321
o TS1173 (845.9) o DDC322
o TS1174 (858.4) o DDC323
o TS1175 (859.3) o DDC324
o TS1176 (871.3) o DDC325
o UDC165 o
[ EQ114 ] C1 ENERGY= 532.6 kJ/mol ( -378.1166175 Hartree)
Energy+ZPE= 518.5 kJ/mol ZPE= 0.0441609
CONNECTIONS:
o TS740 (651.7) o EQ63
o TS798 (647.0) o EQ70
o TS1010 (647.0) o EQ88
o TS1086 (559.4) o EQ101
o TS1087 (560.1) o EQ101
o TS1146 (537.2) o EQ111
o TS1147 (541.6) o EQ111
o TS1177 (824.8) o EQ186
o TS1178 (827.9) o EQ186
o TS1179 (770.8) o EQ256
o TS1180 (923.5) o EQ352
o TS1181 (1032.4) o EQ453
o TS1182 (702.3) o DDC326
[ EQ115 ] C1 ENERGY= 532.7 kJ/mol ( -378.1165887 Hartree)
Energy+ZPE= 518.0 kJ/mol ZPE= 0.0439534
CONNECTIONS:
o TS1039 (555.4) o EQ93
o TS1183 (745.1) o DDC327
[ EQ116 ] C2 ENERGY= 534.5 kJ/mol ( -378.1159005 Hartree)
Energy+ZPE= 526.5 kJ/mol ZPE= 0.0465105
CONNECTIONS:
o TS107 (576.0) o EQ7
o TS172 (584.0) o EQ13
o TS982 (745.2) o EQ86
o TS1184 (761.4) o EQ116
o TS1185 (546.5) o EQ117
o TS1186 (547.8) o EQ117
o TS1187 (913.2) o EQ123
o TS1188 (869.8) o EQ128
o TS1189 (746.9) o EQ170
o TS1190 (755.9) o EQ171
o TS1191 (733.0) o EQ174
o TS1192 (743.4) o EQ175
o TS1193 (715.5) o EQ181
o TS1194 (708.0) o EQ189
o TS1195 (865.2) o EQ267
o TS1196 (755.5) o EQ292
o TS1197 (1136.8) o EQ453
o TS1198 (1101.6) o EQ489
o TS1199 (702.7) o DDC328
o TS1200 (737.6) o DDC329
[ EQ117 ] Cs ENERGY= 536.9 kJ/mol ( -378.1149815 Hartree)
Energy+ZPE= 528.8 kJ/mol ZPE= 0.0464614
CONNECTIONS:
o TS140 (580.9) o EQ10
o TS1185 (546.5) o EQ116
o TS1186 (547.8) o EQ116
o TS1201 (753.6) o EQ117
o TS1202 (910.7) o EQ130
o TS1203 (719.2) o EQ177
o TS1204 (749.1) o EQ294
o TS1205 (1138.9) o EQ452
o TS1206 (1104.2) o EQ489
o TS1207 (704.7) o DDC330
[ EQ118 ] Cs ENERGY= 542.4 kJ/mol ( -378.1128911 Hartree)
Energy+ZPE= 535.1 kJ/mol ZPE= 0.0467594
CONNECTIONS:
o TS17 (778.4) o EQ1
o TS447 (648.8) o EQ43
o TS661 (670.8) o EQ56
o TS963 (558.8) o EQ82
o TS1208 (630.3) o EQ142
o TS1209 (661.8) o EQ176
o TS1210 (779.5) o EQ298
o TS1211 (843.1) o EQ325
o TS1212 (1319.0) o EQ511
o TS1213 (1203.0) o EQ531
o TS1214 (698.7) o DDC331
o TS1215 (841.3) o DDC332
o UDC166 o
[ EQ119 ] C1 ENERGY= 543.8 kJ/mol ( -378.1123479 Hartree)
Energy+ZPE= 536.5 kJ/mol ZPE= 0.0467694
CONNECTIONS:
o TS95 (686.4) o EQ6
o TS155 (619.3) o EQ11
o TS879 (570.3) o EQ75
o TS1020 (585.8) o EQ90
o TS1068 (588.3) o EQ99
o TS1216 (556.0) o EQ120
o TS1217 (559.6) o EQ120
o TS1218 (744.9) o DDC333
[ EQ120 ] C1 ENERGY= 544.2 kJ/mol ( -378.1122220 Hartree)
Energy+ZPE= 537.9 kJ/mol ZPE= 0.0471396
CONNECTIONS:
o TS96 (619.1) o EQ6
o TS97 (686.1) o EQ6
o TS156 (726.1) o EQ11
o TS699 (572.2) o EQ60
o TS1216 (556.0) o EQ119
o TS1217 (559.6) o EQ119
o TS1219 (746.2) o DDC334
o UDC167 o
[ EQ121 ] Cs ENERGY= 548.4 kJ/mol ( -378.1106249 Hartree)
Energy+ZPE= 532.5 kJ/mol ZPE= 0.0435083
CONNECTIONS:
o TS331 (549.9) o EQ33
o TS1220 (548.5) o EQ121
[ EQ122 ] Cs ENERGY= 550.8 kJ/mol ( -378.1097020 Hartree)
Energy+ZPE= 538.9 kJ/mol ZPE= 0.0449977
CONNECTIONS:
o TS1021 (567.1) o EQ90
o TS1063 (748.1) o EQ98
o TS1141 (660.2) o EQ109
o TS1167 (562.8) o EQ113
o TS1221 (896.8) o EQ292
o TS1222 (841.3) o EQ315
o TS1223 (752.6) o DDC335
o TS1224 (864.6) o DDC336
o TS1225 (961.6) o DDC337
[ EQ123 ] C2 ENERGY= 556.8 kJ/mol ( -378.1074124 Hartree)
Energy+ZPE= 546.3 kJ/mol ZPE= 0.0455432
CONNECTIONS:
o TS177 (593.2) o EQ15
o TS573 (683.2) o EQ49
o TS847 (776.4) o EQ73
o TS1187 (913.2) o EQ116
o TS1226 (660.2) o EQ123
o TS1227 (568.4) o EQ130
o TS1228 (569.6) o EQ130
o TS1229 (673.2) o EQ188
o TS1230 (776.3) o EQ281
o TS1231 (580.0) o DDC338
o TS1232 (587.3) o DDC339
o TS1233 (731.9) o DDC340
o TS1234 (749.5) o DDC341
o TS1235 (771.7) o DDC342
[ EQ124 ] Cs ENERGY= 557.8 kJ/mol ( -378.1070414 Hartree)
Energy+ZPE= 548.8 kJ/mol ZPE= 0.0461024
CONNECTIONS:
o TS29 (622.4) o EQ2
o TS614 (726.4) o EQ51
o TS1108 (814.0) o EQ104
o TS1236 (639.8) o EQ127
o TS1237 (577.1) o EQ138
o TS1238 (628.2) o EQ149
o TS1239 (759.5) o EQ199
o TS1240 (728.8) o EQ214
o TS1241 (695.3) o DDC343
o TS1242 (735.7) o DDC344
o UDC168 o
[ EQ125 ] Cs ENERGY= 558.7 kJ/mol ( -378.1066809 Hartree)
Energy+ZPE= 544.2 kJ/mol ZPE= 0.0440414
CONNECTIONS:
o TS287 (564.3) o EQ31
o TS288 (571.3) o EQ31
o TS974 (701.2) o EQ84
o TS975 (701.3) o EQ84
o TS1168 (822.4) o EQ113
o TS1243 (660.2) o EQ169
o TS1244 (886.9) o EQ330
o TS1245 (633.3) o DDC345
o TS1246 (678.5) o DDC346
o UDC169 o
[ EQ126 ] Cs ENERGY= 558.9 kJ/mol ( -378.1065936 Hartree)
Energy+ZPE= 536.5 kJ/mol ZPE= 0.0410145
CONNECTIONS:
o TS1247 (569.8) o DDC347
o UDC170 o
[ EQ127 ] Cs ENERGY= 559.9 kJ/mol ( -378.1062340 Hartree)
Energy+ZPE= 552.6 kJ/mol ZPE= 0.0467506
CONNECTIONS:
o TS42 (618.8) o EQ3
o TS574 (730.3) o EQ49
o TS639 (720.2) o EQ54
o TS1236 (639.8) o EQ124
o TS1248 (576.2) o EQ137
o TS1249 (628.9) o EQ140
o TS1250 (762.4) o EQ207
o TS1251 (727.8) o EQ209
o TS1252 (1312.8) o EQ522
o UDC171 o
o UDC172 o
[ EQ128 ] Cs ENERGY= 560.8 kJ/mol ( -378.1058939 Hartree)
Energy+ZPE= 550.7 kJ/mol ZPE= 0.0456817
CONNECTIONS:
o TS983 (658.2) o EQ86
o TS1188 (869.8) o EQ116
o TS1253 (684.1) o EQ129
o TS1254 (573.0) o EQ131
o TS1255 (738.7) o EQ131
o TS1256 (625.3) o EQ132
o TS1257 (629.6) o EQ132
o TS1258 (582.1) o EQ141
o TS1259 (825.0) o EQ174
o TS1260 (763.9) o EQ303
o TS1261 (607.9) o DDC348
o TS1262 (1089.8) o DDC349
o UDC173 o
[ EQ129 ] C1 ENERGY= 565.0 kJ/mol ( -378.1042729 Hartree)
Energy+ZPE= 554.7 kJ/mol ZPE= 0.0456138
CONNECTIONS:
o TS236 (746.0) o EQ25
o TS848 (991.7) o EQ73
o TS940 (645.7) o EQ81
o TS941 (646.4) o EQ81
o TS984 (641.5) o EQ86
o TS1253 (684.1) o EQ128
o TS1263 (576.5) o EQ129
o TS1264 (579.3) o EQ129
o TS1265 (581.9) o EQ129
o TS1266 (733.6) o EQ129
o TS1267 (618.9) o EQ134
o TS1268 (620.2) o EQ134
o TS1269 (688.9) o EQ141
o TS1270 (691.1) o EQ141
o TS1271 (769.9) o EQ175
o TS1272 (775.2) o EQ177
o TS1273 (846.0) o EQ186
o TS1274 (856.2) o EQ186
o TS1275 (848.4) o EQ190
o TS1276 (743.2) o EQ197
o TS1277 (1034.6) o EQ263
o TS1278 (750.8) o EQ267
o TS1279 (754.5) o EQ277
o TS1280 (947.9) o EQ313
o TS1281 (835.4) o EQ339
o TS1282 (1083.6) o EQ472
o TS1283 (1083.5) o EQ476
o TS1284 (1140.5) o EQ491
o TS1285 (752.0) o DDC350
o TS1286 (1075.5) o DDC351
o TS1287 (1079.4) o DDC352
o UDC174 o
[ EQ130 ] C1 ENERGY= 566.3 kJ/mol ( -378.1038058 Hartree)
Energy+ZPE= 554.9 kJ/mol ZPE= 0.0452134
CONNECTIONS:
o TS60 (585.8) o EQ4
o TS61 (589.8) o EQ4
o TS849 (748.5) o EQ73
o TS1202 (910.7) o EQ117
o TS1227 (568.4) o EQ123
o TS1228 (569.6) o EQ123
o TS1288 (569.2) o EQ130
o TS1289 (690.8) o EQ130
o TS1290 (857.0) o EQ171
o TS1291 (1038.2) o EQ178
o TS1292 (679.8) o EQ185
o TS1293 (783.9) o EQ260
o TS1294 (739.2) o DDC353
o TS1295 (740.6) o DDC354
o TS1296 (773.6) o DDC355
[ EQ131 ] Cs ENERGY= 568.9 kJ/mol ( -378.1028158 Hartree)
Energy+ZPE= 557.6 kJ/mol ZPE= 0.0452463
CONNECTIONS:
o TS850 (751.5) o EQ73
o TS1254 (573.0) o EQ128
o TS1255 (738.7) o EQ128
o TS1297 (746.6) o EQ195
o TS1298 (604.6) o DDC356
o UDC175 o
o UDC176 o
[ EQ132 ] Cs ENERGY= 570.1 kJ/mol ( -378.1023420 Hartree)
Energy+ZPE= 559.6 kJ/mol ZPE= 0.0455381
CONNECTIONS:
o TS4 (661.3) o EQ0
o TS424 (608.9) o EQ41
o TS942 (652.3) o EQ81
o TS943 (744.3) o EQ81
o TS1256 (625.3) o EQ128
o TS1257 (629.6) o EQ128
o TS1299 (614.4) o EQ132
o TS1300 (683.6) o EQ134
o TS1301 (683.6) o EQ134
o TS1302 (664.6) o EQ139
o TS1303 (632.6) o EQ141
o TS1304 (586.7) o EQ146
o TS1305 (913.6) o EQ206
o TS1306 (782.5) o EQ253
o TS1307 (782.2) o EQ265
o TS1308 (833.1) o EQ325
o TS1309 (834.3) o EQ327
o TS1310 (614.3) o DDC357
o TS1311 (717.9) o DDC358
o TS1312 (739.8) o DDC359
o TS1313 (768.7) o DDC360
o TS1314 (787.1) o DDC361
[ EQ133 ] Cs ENERGY= 570.8 kJ/mol ( -378.1020850 Hartree)
Energy+ZPE= 562.8 kJ/mol ZPE= 0.0465002
CONNECTIONS:
o TS425 (666.6) o EQ41
o TS426 (668.7) o EQ41
o TS910 (1013.5) o EQ78
o TS1022 (1015.6) o EQ90
o TS1315 (635.3) o EQ150
o TS1316 (645.6) o EQ151
o TS1317 (1032.1) o EQ151
o TS1318 (649.9) o EQ176
o TS1319 (809.0) o EQ278
o TS1320 (1047.5) o EQ285
o TS1321 (778.0) o EQ298
o TS1322 (680.7) o DDC362
o TS1323 (848.5) o DDC363
o UDC177 o
[ EQ134 ] C1 ENERGY= 571.3 kJ/mol ( -378.1018949 Hartree)
Energy+ZPE= 561.3 kJ/mol ZPE= 0.0457450
CONNECTIONS:
o TS62 (653.1) o EQ4
o TS63 (677.0) o EQ4
o TS483 (613.7) o EQ44
o TS549 (726.4) o EQ48
o TS851 (766.9) o EQ73
o TS944 (747.2) o EQ81
o TS985 (644.2) o EQ86
o TS1267 (618.9) o EQ129
o TS1268 (620.2) o EQ129
o TS1300 (683.6) o EQ132
o TS1301 (683.6) o EQ132
o TS1324 (598.2) o EQ134
o TS1325 (582.4) o EQ139
o TS1326 (612.3) o EQ139
o TS1327 (628.1) o EQ139
o TS1328 (672.9) o EQ146
o TS1329 (1079.1) o EQ172
o TS1330 (901.6) o EQ206
o TS1331 (852.5) o EQ216
o TS1332 (859.5) o EQ235
o TS1333 (779.1) o EQ256
o TS1334 (768.9) o EQ299
o TS1335 (1050.9) o EQ314
o TS1336 (822.1) o EQ326
o TS1337 (849.3) o EQ345
o TS1338 (1086.0) o EQ475
o TS1339 (1149.5) o EQ480
o TS1340 (762.0) o DDC364
o TS1341 (763.3) o DDC365
o TS1342 (784.3) o DDC366
o TS1343 (840.7) o DDC367
o TS1344 (1059.3) o DDC368
o TS3899 (622.8) o xx
o UDC178 o
[ EQ135 ] C1 ENERGY= 572.7 kJ/mol ( -378.1013505 Hartree)
Energy+ZPE= 552.0 kJ/mol ZPE= 0.0416447
CONNECTIONS:
o TS332 (572.8) o EQ33
o TS1345 (581.6) o EQ135
o TS1346 (905.7) o EQ290
o TS1347 (580.3) o DDC369
o TS1348 (806.0) o DDC370
o TS1349 (806.0) o DDC371
[ EQ136 ] C1 ENERGY= 573.4 kJ/mol ( -378.1010989 Hartree)
Energy+ZPE= 565.4 kJ/mol ZPE= 0.0464875
CONNECTIONS:
o TS355 (916.8) o EQ36
o TS1350 (580.4) o EQ136
o TS1351 (596.5) o EQ136
o TS1352 (616.4) o EQ144
o TS1353 (621.6) o EQ144
o TS1354 (854.0) o EQ344
o TS1355 (639.9) o DDC372
o TS1356 (650.5) o DDC373
o TS1357 (701.4) o DDC374
o TS1358 (906.0) o DDC375
o UDC179 o
[ EQ137 ] Cs ENERGY= 573.5 kJ/mol ( -378.1010386 Hartree)
Energy+ZPE= 565.6 kJ/mol ZPE= 0.0465525
CONNECTIONS:
o TS628 (724.6) o EQ52
o TS1248 (576.2) o EQ127
o TS1359 (618.7) o EQ140
o TS1360 (737.1) o EQ244
o TS1361 (826.2) o DDC376
o UDC180 o
o UDC181 o
[ EQ138 ] Cs ENERGY= 574.8 kJ/mol ( -378.1005664 Hartree)
Energy+ZPE= 564.9 kJ/mol ZPE= 0.0457946
CONNECTIONS:
o TS1237 (577.1) o EQ124
o TS1362 (619.4) o EQ149
o TS1363 (741.9) o EQ248
o TS1364 (698.5) o DDC377
[ EQ139 ] C1 ENERGY= 577.6 kJ/mol ( -378.0994967 Hartree)
Energy+ZPE= 567.0 kJ/mol ZPE= 0.0455026
CONNECTIONS:
o TS64 (679.3) o EQ4
o TS1302 (664.6) o EQ132
o TS1325 (582.4) o EQ134
o TS1326 (612.3) o EQ134
o TS1327 (628.1) o EQ134
o TS1365 (699.2) o EQ146
o TS1366 (912.9) o EQ220
o TS1367 (859.9) o EQ223
o TS1368 (848.4) o EQ224
o TS1369 (777.1) o EQ266
o TS1370 (754.8) o EQ299
o TS1371 (886.0) o EQ313
o TS1372 (822.6) o EQ327
o TS1373 (1104.5) o EQ359
o TS1374 (1148.8) o EQ472
o TS1375 (1144.3) o EQ476
o TS1376 (656.3) o DDC378
o TS1377 (736.6) o DDC379
o TS1378 (786.6) o DDC380
o TS1379 (821.6) o DDC381
o TS1380 (833.2) o DDC382
o UDC182 o
[ EQ140 ] C1 ENERGY= 579.1 kJ/mol ( -378.0989244 Hartree)
Energy+ZPE= 570.8 kJ/mol ZPE= 0.0463669
CONNECTIONS:
o TS526 (729.5) o EQ46
o TS575 (831.7) o EQ49
o TS819 (758.6) o EQ71
o TS1131 (812.6) o EQ107
o TS1249 (628.9) o EQ127
o TS1359 (618.7) o EQ137
o TS1381 (582.4) o EQ140
o TS1382 (596.9) o EQ148
o TS1383 (656.9) o EQ149
o TS1384 (668.1) o EQ149
o TS1385 (751.8) o EQ252
o TS1386 (782.5) o EQ254
o TS1387 (755.1) o EQ264
o TS1388 (657.7) o DDC383
o TS1389 (781.8) o DDC384
o UDC183 o
[ EQ141 ] C1 ENERGY= 579.2 kJ/mol ( -378.0988707 Hartree)
Energy+ZPE= 567.7 kJ/mol ZPE= 0.0451761
CONNECTIONS:
o TS986 (661.3) o EQ86
o TS1258 (582.1) o EQ128
o TS1269 (688.9) o EQ129
o TS1270 (691.1) o EQ129
o TS1303 (632.6) o EQ132
o TS1390 (584.4) o EQ141
o TS1391 (777.7) o EQ171
o TS1392 (760.2) o EQ278
o TS1393 (766.4) o EQ278
o TS1394 (854.0) o EQ325
o TS1395 (1106.7) o EQ491
o TS1396 (1372.5) o EQ547
o TS1397 (666.0) o DDC385
o UDC184 o
[ EQ142 ] Cs ENERGY= 582.2 kJ/mol ( -378.0977294 Hartree)
Energy+ZPE= 573.9 kJ/mol ZPE= 0.0463806
CONNECTIONS:
o TS1208 (630.3) o EQ118
o TS1398 (667.2) o EQ162
o TS1399 (678.9) o EQ183
o TS1400 (791.3) o EQ295
o TS1401 (846.6) o EQ339
o TS1402 (695.9) o DDC386
o TS1403 (701.4) o DDC387
o TS1404 (703.4) o DDC388
o TS1405 (819.7) o DDC389
o UDC185 o
[ EQ143 ] Cs ENERGY= 582.6 kJ/mol ( -378.0975624 Hartree)
Energy+ZPE= 578.0 kJ/mol ZPE= 0.0477971
CONNECTIONS:
o TS761 (606.1) o EQ66
o TS1406 (709.9) o EQ157
o TS1407 (718.1) o EQ160
o TS1408 (1009.8) o DDC390
o UDC186 o
o UDC187 o
[ EQ144 ] C1 ENERGY= 584.9 kJ/mol ( -378.0966998 Hartree)
Energy+ZPE= 576.3 kJ/mol ZPE= 0.0462898
CONNECTIONS:
o TS1156 (847.4) o EQ112
o TS1352 (616.4) o EQ136
o TS1353 (621.6) o EQ136
o TS1409 (588.9) o EQ144
o TS1410 (841.0) o EQ324
o TS1411 (847.9) o EQ338
o TS1412 (646.4) o DDC391
o TS1413 (927.5) o DDC392
o UDC188 o
[ EQ145 ] C1 ENERGY= 585.8 kJ/mol ( -378.0963613 Hartree)
Energy+ZPE= 579.7 kJ/mol ZPE= 0.0472059
CONNECTIONS:
o TS307 (585.9) o EQ32
o TS1414 (609.9) o EQ145
o TS1415 (967.4) o EQ163
o TS1416 (717.6) o EQ232
o TS1417 (644.8) o DDC393
o TS1418 (734.8) o DDC394
o UDC189 o
o UDC190 o
[ EQ146 ] Cs ENERGY= 586.7 kJ/mol ( -378.0960337 Hartree)
Energy+ZPE= 573.6 kJ/mol ZPE= 0.0445701
CONNECTIONS:
o TS5 (687.6) o EQ0
o TS1304 (586.7) o EQ132
o TS1328 (672.9) o EQ134
o TS1365 (699.2) o EQ139
o TS1419 (1151.0) o EQ489
o TS1420 (624.4) o DDC395
o TS1421 (775.4) o DDC396
o TS1422 (807.1) o DDC397
o TS1423 (868.8) o DDC398
o UDC191 o
[ EQ147 ] C2v ENERGY= 591.3 kJ/mol ( -378.0942841 Hartree)
Energy+ZPE= 577.1 kJ/mol ZPE= 0.0441553
CONNECTIONS:
o TS289 (607.0) o EQ31
o TS290 (611.7) o EQ31
o TS291 (676.0) o EQ31
o TS880 (870.8) o EQ75
o TS1061 (722.7) o EQ97
o TS1424 (907.9) o EQ293
o TS1425 (683.5) o DDC399
o TS1426 (688.8) o DDC400
o TS1427 (1006.1) o DDC401
o UDC192 o
o UDC193 o
[ EQ148 ] Cs ENERGY= 592.2 kJ/mol ( -378.0939430 Hartree)
Energy+ZPE= 583.6 kJ/mol ZPE= 0.0462602
CONNECTIONS:
o TS98 (743.5) o EQ6
o TS1382 (596.9) o EQ140
o TS1428 (671.8) o EQ149
o TS1429 (758.1) o EQ264
o TS1430 (677.7) o DDC402
o UDC194 o
o UDC195 o
[ EQ149 ] C1 ENERGY= 593.1 kJ/mol ( -378.0935947 Hartree)
Energy+ZPE= 583.3 kJ/mol ZPE= 0.0458251
CONNECTIONS:
o TS1238 (628.2) o EQ124
o TS1362 (619.4) o EQ138
o TS1383 (656.9) o EQ140
o TS1384 (668.1) o EQ140
o TS1428 (671.8) o EQ148
o TS1431 (596.2) o EQ149
o TS1432 (798.6) o EQ159
o TS1433 (752.7) o EQ269
o TS1434 (754.8) o EQ269
o TS1435 (832.4) o EQ286
o TS1436 (777.7) o EQ287
o TS1437 (782.8) o EQ287
o TS1438 (630.2) o DDC403
o TS1439 (649.2) o DDC404
o TS1440 (663.7) o DDC405
o TS1441 (733.4) o DDC406
o UDC196 o
[ EQ150 ] C1 ENERGY= 597.0 kJ/mol ( -378.0921067 Hartree)
Energy+ZPE= 584.7 kJ/mol ZPE= 0.0448712
CONNECTIONS:
o TS448 (603.7) o EQ43
o TS601 (637.9) o EQ50
o TS1315 (635.3) o EQ133
o TS1442 (597.9) o EQ150
o TS1443 (640.6) o EQ168
o TS1444 (645.9) o EQ168
o TS1445 (1249.3) o EQ520
o TS1446 (679.5) o DDC407
o TS1447 (715.8) o DDC408
o TS1448 (854.3) o DDC409
o UDC197 o
o UDC198 o
o UDC199 o
[ EQ151 ] Cs ENERGY= 600.1 kJ/mol ( -378.0909055 Hartree)
Energy+ZPE= 590.6 kJ/mol ZPE= 0.0459331
CONNECTIONS:
o TS484 (671.1) o EQ44
o TS1064 (1028.9) o EQ98
o TS1069 (1070.6) o EQ99
o TS1316 (645.6) o EQ133
o TS1317 (1032.1) o EQ133
o TS1449 (828.1) o EQ151
o TS1450 (661.1) o EQ183
o TS1451 (807.8) o EQ277
o TS1452 (782.9) o EQ295
o TS1453 (696.9) o DDC410
o TS1454 (821.0) o DDC411
o TS1455 (975.4) o DDC412
o UDC200 o
o UDC201 o
[ EQ152 ] Cs ENERGY= 601.6 kJ/mol ( -378.0903454 Hartree)
Energy+ZPE= 584.6 kJ/mol ZPE= 0.0430681
CONNECTIONS:
o TS1456 (605.4) o DDC413
o TS1457 (642.5) o DDC414
o TS1458 (665.6) o DDC415
[ EQ153 ] C1 ENERGY= 602.2 kJ/mol ( -378.0901173 Hartree)
Energy+ZPE= 588.7 kJ/mol ZPE= 0.0444178
CONNECTIONS:
o TS308 (612.8) o EQ32
o TS550 (670.1) o EQ48
o TS1459 (611.3) o EQ153
o TS1460 (897.0) o EQ153
o TS1461 (643.3) o EQ156
o TS1462 (663.4) o EQ156
o TS1463 (625.9) o EQ167
o TS1464 (646.7) o DDC416
o TS1465 (718.9) o DDC417
o TS1466 (804.4) o DDC418
o TS1467 (898.2) o DDC419
o UDC202 o
[ EQ154 ] Cs ENERGY= 610.0 kJ/mol ( -378.0871351 Hartree)
Energy+ZPE= 595.8 kJ/mol ZPE= 0.0441461
CONNECTIONS:
o TS1468 (682.8) o EQ155
o TS1469 (615.5) o EQ158
o TS1470 (662.1) o EQ164
o TS1471 (626.6) o EQ165
o TS1472 (696.9) o EQ201
o TS1473 (838.7) o EQ243
o TS1474 (850.9) o EQ342
[ EQ155 ] C1 ENERGY= 610.4 kJ/mol ( -378.0869847 Hartree)
Energy+ZPE= 596.6 kJ/mol ZPE= 0.0443008
CONNECTIONS:
o TS1468 (682.8) o EQ154
o TS1475 (611.8) o EQ156
o TS1476 (863.2) o EQ156
o TS1477 (619.5) o EQ161
o TS1478 (666.4) o EQ166
o TS1479 (660.7) o EQ167
o TS1480 (660.9) o EQ167
o TS1481 (828.6) o EQ200
o TS1482 (1361.4) o EQ393
o TS1483 (1346.5) o EQ560
o UDC203 o
[ EQ156 ] C1 ENERGY= 611.4 kJ/mol ( -378.0866148 Hartree)
Energy+ZPE= 597.7 kJ/mol ZPE= 0.0443251
CONNECTIONS:
o TS372 (670.6) o EQ38
o TS404 (1292.0) o EQ40
o TS1461 (643.3) o EQ153
o TS1462 (663.4) o EQ153
o TS1475 (611.8) o EQ155
o TS1476 (863.2) o EQ155
o TS1484 (615.2) o EQ156
o TS1485 (620.1) o EQ156
o TS1486 (622.3) o EQ156
o TS1487 (682.6) o EQ165
o TS1488 (828.7) o EQ211
o TS1489 (707.7) o EQ232
o TS1490 (842.8) o EQ331
o TS1491 (845.5) o EQ331
o TS1492 (709.5) o DDC420
o TS1493 (970.4) o DDC421
o TS1494 (1322.3) o DDC422
o UDC204 o
[ EQ157 ] C1 ENERGY= 612.3 kJ/mol ( -378.0862831 Hartree)
Energy+ZPE= 597.6 kJ/mol ZPE= 0.0439445
CONNECTIONS:
o TS157 (828.2) o EQ11
o TS1406 (709.9) o EQ143
o TS1495 (836.5) o EQ328
o TS1496 (903.7) o EQ350
o TS1497 (613.2) o DDC423
o TS1498 (1331.5) o DDC424
[ EQ158 ] Cs ENERGY= 614.4 kJ/mol ( -378.0854773 Hartree)
Energy+ZPE= 599.1 kJ/mol ZPE= 0.0437121
CONNECTIONS:
o TS1469 (615.5) o EQ154
o TS1499 (633.1) o DDC425
o UDC205 o
[ EQ159 ] C1 ENERGY= 614.8 kJ/mol ( -378.0853083 Hartree)
Energy+ZPE= 598.7 kJ/mol ZPE= 0.0434315
CONNECTIONS:
o TS576 (614.8) o EQ49
o TS1432 (798.6) o EQ149
o TS1500 (710.9) o EQ208
o TS1501 (771.5) o EQ274
o TS1502 (630.2) o DDC426
o TS1503 (639.4) o DDC427
o TS1504 (672.8) o DDC428
[ EQ160 ] Cs ENERGY= 616.8 kJ/mol ( -378.0845379 Hartree)
Energy+ZPE= 604.7 kJ/mol ZPE= 0.0449440
CONNECTIONS:
o TS1142 (916.5) o EQ109
o TS1407 (718.1) o EQ143
o TS1505 (1003.8) o EQ285
o TS1506 (829.3) o EQ331
o TS1507 (916.3) o EQ334
o TS1508 (922.5) o EQ342
o TS1509 (622.7) o DDC429
o TS1510 (911.6) o DDC430
o TS1511 (988.6) o DDC431
[ EQ161 ] C1 ENERGY= 619.5 kJ/mol ( -378.0835297 Hartree)
Energy+ZPE= 604.1 kJ/mol ZPE= 0.0436907
CONNECTIONS:
o TS1477 (619.5) o EQ155
o TS1512 (664.2) o EQ166
o TS1513 (672.2) o DDC432
o UDC206 o
[ EQ162 ] C1 ENERGY= 623.2 kJ/mol ( -378.0821353 Hartree)
Energy+ZPE= 612.6 kJ/mol ZPE= 0.0455121
CONNECTIONS:
o TS449 (658.9) o EQ43
o TS450 (673.9) o EQ43
o TS485 (635.9) o EQ44
o TS1095 (873.0) o EQ103
o TS1398 (667.2) o EQ142
o TS1514 (629.7) o EQ162
o TS1515 (820.1) o EQ292
o TS1516 (925.0) o DDC433
o UDC207 o
o UDC208 o
[ EQ163 ] C1 ENERGY= 623.7 kJ/mol ( -378.0819151 Hartree)
Energy+ZPE= 607.9 kJ/mol ZPE= 0.0435275
CONNECTIONS:
o TS1415 (967.4) o EQ145
o TS1517 (626.6) o EQ163
o TS1518 (897.9) o EQ163
o TS1519 (624.4) o EQ164
o TS1520 (905.7) o EQ164
o TS1521 (942.2) o EQ166
o TS1522 (948.7) o EQ166
o TS1523 (690.6) o EQ167
o TS1524 (639.5) o EQ172
o TS1525 (702.4) o EQ201
o TS1526 (882.9) o EQ366
o TS1527 (917.3) o EQ387
o TS1528 (680.9) o DDC434
o TS1529 (772.5) o DDC435
[ EQ164 ] C1 ENERGY= 624.1 kJ/mol ( -378.0817661 Hartree)
Energy+ZPE= 608.2 kJ/mol ZPE= 0.0434980
CONNECTIONS:
o TS18 (879.5) o EQ1
o TS1470 (662.1) o EQ154
o TS1519 (624.4) o EQ163
o TS1520 (905.7) o EQ163
o TS1530 (888.1) o EQ164
o TS1531 (898.3) o EQ164
o TS1532 (692.6) o EQ166
o TS1533 (640.8) o EQ173
o TS1534 (704.8) o EQ204
o TS1535 (1017.9) o EQ341
o TS1536 (993.4) o EQ348
o TS1537 (909.4) o EQ366
o TS1538 (680.8) o DDC436
o TS1539 (682.3) o DDC437
o TS1540 (828.5) o DDC438
o UDC209 o
[ EQ165 ] C1 ENERGY= 625.4 kJ/mol ( -378.0812913 Hartree)
Energy+ZPE= 610.8 kJ/mol ZPE= 0.0439749
CONNECTIONS:
o TS1471 (626.6) o EQ154
o TS1487 (682.6) o EQ156
o TS1541 (627.7) o EQ165
o TS1542 (667.8) o EQ172
o TS1543 (831.6) o EQ226
o TS1544 (924.6) o EQ235
o TS1545 (852.4) o EQ334
o TS1546 (664.7) o DDC439
o TS1547 (710.9) o DDC440
o TS1548 (1072.2) o DDC441
o TS1549 (1335.1) o DDC442
[ EQ166 ] C1 ENERGY= 625.6 kJ/mol ( -378.0812163 Hartree)
Energy+ZPE= 610.2 kJ/mol ZPE= 0.0436766
CONNECTIONS:
o TS451 (674.9) o EQ43
o TS1054 (724.7) o EQ95
o TS1478 (666.4) o EQ155
o TS1512 (664.2) o EQ161
o TS1521 (942.2) o EQ163
o TS1522 (948.7) o EQ163
o TS1532 (692.6) o EQ164
o TS1550 (635.1) o EQ166
o TS1551 (898.4) o EQ166
o TS1552 (626.1) o EQ167
o TS1553 (707.3) o EQ204
o TS1554 (885.4) o EQ371
o TS1555 (685.7) o DDC443
o TS1556 (870.4) o DDC444
o UDC210 o
[ EQ167 ] C1 ENERGY= 625.8 kJ/mol ( -378.0811368 Hartree)
Energy+ZPE= 610.1 kJ/mol ZPE= 0.0435734
CONNECTIONS:
o TS1092 (722.7) o EQ102
o TS1463 (625.9) o EQ153
o TS1479 (660.7) o EQ155
o TS1480 (660.9) o EQ155
o TS1523 (690.6) o EQ163
o TS1552 (626.1) o EQ166
o TS1557 (627.2) o EQ167
o TS1558 (895.0) o EQ167
o TS1559 (897.5) o EQ167
o TS1560 (1005.8) o EQ328
o TS1561 (907.4) o EQ371
o TS1562 (705.0) o DDC445
[ EQ168 ] C1 ENERGY= 629.9 kJ/mol ( -378.0795610 Hartree)
Energy+ZPE= 615.2 kJ/mol ZPE= 0.0439423
CONNECTIONS:
o TS373 (1007.3) o EQ38
o TS509 (644.0) o EQ45
o TS551 (640.8) o EQ48
o TS1143 (766.6) o EQ109
o TS1443 (640.6) o EQ150
o TS1444 (645.9) o EQ150
o TS1563 (633.9) o EQ168
o TS1564 (834.7) o EQ300
o TS1565 (835.8) o EQ300
o TS1566 (783.7) o EQ305
o TS1567 (1073.1) o EQ454
o TS1568 (800.5) o DDC446
o UDC211 o
[ EQ169 ] C1 ENERGY= 632.5 kJ/mol ( -378.0785896 Hartree)
Energy+ZPE= 612.5 kJ/mol ZPE= 0.0419170
CONNECTIONS:
o TS976 (977.2) o EQ84
o TS1243 (660.2) o EQ125
o TS1569 (659.6) o EQ169
o TS1570 (638.3) o DDC447
[ EQ170 ] C1 ENERGY= 636.0 kJ/mol ( -378.0772545 Hartree)
Energy+ZPE= 625.7 kJ/mol ZPE= 0.0456386
CONNECTIONS:
o TS65 (708.5) o EQ4
o TS945 (706.5) o EQ81
o TS1109 (731.3) o EQ104
o TS1189 (746.9) o EQ116
o TS1571 (641.1) o EQ170
o TS1572 (661.6) o EQ171
o TS1573 (667.5) o EQ171
o TS1574 (681.8) o EQ174
o TS1575 (761.9) o EQ178
o TS1576 (768.7) o EQ178
o TS1577 (815.6) o EQ278
o TS1578 (835.6) o EQ303
o TS1579 (695.9) o DDC448
[ EQ171 ] C1 ENERGY= 638.1 kJ/mol ( -378.0764313 Hartree)
Energy+ZPE= 627.4 kJ/mol ZPE= 0.0454664
CONNECTIONS:
o TS66 (846.3) o EQ4
o TS81 (705.2) o EQ5
o TS987 (703.5) o EQ86
o TS1190 (755.9) o EQ116
o TS1290 (857.0) o EQ130
o TS1391 (777.7) o EQ141
o TS1572 (661.6) o EQ170
o TS1573 (667.5) o EQ170
o TS1580 (645.5) o EQ171
o TS1581 (663.6) o EQ174
o TS1582 (761.5) o EQ175
o TS1583 (686.9) o DDC449
[ EQ172 ] C1 ENERGY= 638.9 kJ/mol ( -378.0761356 Hartree)
Energy+ZPE= 623.2 kJ/mol ZPE= 0.0435560
CONNECTIONS:
o TS1329 (1079.1) o EQ134
o TS1524 (639.5) o EQ163
o TS1542 (667.8) o EQ165
o TS1584 (640.9) o EQ173
o TS1585 (677.5) o EQ173
o TS1586 (645.7) o DDC450
o TS1587 (765.4) o DDC451
o TS1588 (949.7) o DDC452
[ EQ173 ] C1 ENERGY= 640.2 kJ/mol ( -378.0756482 Hartree)
Energy+ZPE= 624.1 kJ/mol ZPE= 0.0434069
CONNECTIONS:
o TS19 (897.4) o EQ1
o TS1533 (640.8) o EQ164
o TS1584 (640.9) o EQ172
o TS1585 (677.5) o EQ172
o TS1589 (924.4) o EQ173
o TS1590 (917.2) o EQ387
o TS1591 (656.5) o DDC453
o TS1592 (774.7) o DDC454
o TS1593 (780.9) o DDC455
[ EQ174 ] Cs ENERGY= 645.1 kJ/mol ( -378.0737612 Hartree)
Energy+ZPE= 633.5 kJ/mol ZPE= 0.0451311
CONNECTIONS:
o TS1191 (733.0) o EQ116
o TS1259 (825.0) o EQ128
o TS1574 (681.8) o EQ170
o TS1581 (663.6) o EQ171
o TS1594 (767.0) o EQ177
o TS1595 (768.4) o EQ177
o TS1596 (767.6) o EQ181
o TS1597 (748.4) o DDC456
o TS1598 (759.8) o DDC457
[ EQ175 ] C1 ENERGY= 646.5 kJ/mol ( -378.0732276 Hartree)
Energy+ZPE= 636.3 kJ/mol ZPE= 0.0456715
CONNECTIONS:
o TS82 (705.2) o EQ5
o TS681 (789.5) o EQ58
o TS1192 (743.4) o EQ116
o TS1271 (769.9) o EQ129
o TS1582 (761.5) o EQ171
o TS1599 (654.7) o EQ175
o TS1600 (651.9) o EQ177
o TS1601 (666.2) o EQ178
o TS1602 (671.1) o EQ178
o TS1603 (771.7) o EQ294
o TS1604 (776.2) o DDC458
o UDC212 o
[ EQ176 ] C1 ENERGY= 649.4 kJ/mol ( -378.0721228 Hartree)
Energy+ZPE= 639.2 kJ/mol ZPE= 0.0456576
CONNECTIONS:
o TS1110 (696.9) o EQ104
o TS1111 (702.6) o EQ104
o TS1209 (661.8) o EQ118
o TS1318 (649.9) o EQ133
o TS1605 (677.4) o EQ183
o TS1606 (681.7) o EQ183
o TS1607 (1151.4) o EQ492
o TS1608 (935.9) o DDC459
o UDC213 o
[ EQ177 ] C1 ENERGY= 649.9 kJ/mol ( -378.0719639 Hartree)
Energy+ZPE= 639.4 kJ/mol ZPE= 0.0455374
CONNECTIONS:
o TS108 (761.5) o EQ7
o TS1203 (719.2) o EQ117
o TS1272 (775.2) o EQ129
o TS1594 (767.0) o EQ174
o TS1595 (768.4) o EQ174
o TS1600 (651.9) o EQ175
o TS1609 (650.0) o EQ177
o TS1610 (675.3) o EQ181
o TS1611 (1255.8) o EQ512
o UDC214 o
[ EQ178 ] C1 ENERGY= 650.3 kJ/mol ( -378.0717956 Hartree)
Energy+ZPE= 640.5 kJ/mol ZPE= 0.0458024
CONNECTIONS:
o TS67 (710.5) o EQ4
o TS141 (738.6) o EQ10
o TS1132 (739.6) o EQ107
o TS1291 (1038.2) o EQ130
o TS1575 (761.9) o EQ170
o TS1576 (768.7) o EQ170
o TS1601 (666.2) o EQ175
o TS1602 (671.1) o EQ175
o TS1612 (655.5) o EQ178
o TS1613 (667.9) o EQ181
o TS1614 (817.2) o EQ267
o TS1615 (826.8) o EQ277
o TS1616 (827.9) o EQ277
o TS1617 (775.9) o EQ292
o UDC215 o
[ EQ179 ] C1 ENERGY= 652.6 kJ/mol ( -378.0709193 Hartree)
Energy+ZPE= 637.2 kJ/mol ZPE= 0.0436773
CONNECTIONS:
o TS510 (667.3) o EQ45
o TS577 (866.2) o EQ49
o TS602 (1195.1) o EQ50
o TS881 (766.9) o EQ75
o TS1618 (688.7) o EQ182
o TS1619 (696.5) o EQ182
o TS1620 (706.4) o EQ182
o TS1621 (700.4) o EQ184
o TS1622 (666.4) o EQ192
o TS1623 (668.9) o EQ194
o TS1624 (756.0) o EQ225
o TS1625 (912.8) o EQ376
o TS1626 (920.6) o EQ379
o TS1627 (920.5) o EQ383
o TS1628 (967.9) o EQ385
o TS1629 (974.8) o EQ388
o TS1630 (987.5) o EQ422
o TS1631 (1377.6) o EQ561
o TS1632 (722.1) o DDC460
o TS1633 (806.7) o DDC461
o TS1634 (927.3) o DDC462
o TS1635 (931.9) o DDC463
[ EQ180 ] C1 ENERGY= 654.0 kJ/mol ( -378.0704003 Hartree)
Energy+ZPE= 644.7 kJ/mol ZPE= 0.0460026
CONNECTIONS:
o TS1096 (820.6) o EQ103
o TS1636 (1118.4) o EQ438
o TS1637 (663.2) o DDC464
o TS1638 (695.8) o DDC465
o TS1639 (741.1) o DDC466
o TS1640 (767.9) o DDC467
o TS1641 (836.7) o DDC468
o UDC216 o
[ EQ181 ] C1 ENERGY= 654.4 kJ/mol ( -378.0702429 Hartree)
Energy+ZPE= 644.2 kJ/mol ZPE= 0.0456586
CONNECTIONS:
o TS662 (783.8) o EQ56
o TS1193 (715.5) o EQ116
o TS1596 (767.6) o EQ174
o TS1610 (675.3) o EQ177
o TS1613 (667.9) o EQ178
[ EQ182 ] C1 ENERGY= 655.4 kJ/mol ( -378.0698575 Hartree)
Energy+ZPE= 639.9 kJ/mol ZPE= 0.0436574
CONNECTIONS:
o TS603 (668.4) o EQ50
o TS700 (762.1) o EQ60
o TS1618 (688.7) o EQ179
o TS1619 (696.5) o EQ179
o TS1620 (706.4) o EQ179
o TS1642 (664.5) o EQ184
o TS1643 (671.4) o EQ184
o TS1644 (760.5) o EQ217
o TS1645 (910.2) o EQ376
o TS1646 (904.8) o EQ379
o TS1647 (934.8) o EQ384
o TS1648 (1364.7) o EQ499
o TS1649 (933.8) o DDC469
[ EQ183 ] C1 ENERGY= 656.3 kJ/mol ( -378.0694997 Hartree)
Energy+ZPE= 646.4 kJ/mol ZPE= 0.0457726
CONNECTIONS:
o TS486 (764.6) o EQ44
o TS1133 (705.9) o EQ107
o TS1134 (708.5) o EQ107
o TS1399 (678.9) o EQ142
o TS1450 (661.1) o EQ151
o TS1605 (677.4) o EQ176
o TS1606 (681.7) o EQ176
o TS1650 (817.8) o DDC470
o UDC217 o
[ EQ184 ] C1 ENERGY= 660.8 kJ/mol ( -378.0678122 Hartree)
Energy+ZPE= 645.3 kJ/mol ZPE= 0.0436511
CONNECTIONS:
o TS374 (689.2) o EQ38
o TS452 (921.1) o EQ43
o TS1621 (700.4) o EQ179
o TS1642 (664.5) o EQ182
o TS1643 (671.4) o EQ182
o TS1651 (1001.2) o EQ184
o TS1652 (695.4) o EQ192
o TS1653 (691.9) o EQ194
o TS1654 (918.0) o EQ382
o TS1655 (922.3) o EQ383
o TS1656 (722.4) o DDC471
o TS1657 (1011.9) o DDC472
o TS1658 (1049.1) o DDC473
o UDC218 o
[ EQ185 ] C1 ENERGY= 663.3 kJ/mol ( -378.0668613 Hartree)
Energy+ZPE= 652.5 kJ/mol ZPE= 0.0454307
CONNECTIONS:
o TS68 (683.3) o EQ4
o TS69 (697.6) o EQ4
o TS852 (686.5) o EQ73
o TS1078 (691.4) o EQ100
o TS1292 (679.8) o EQ130
o TS1659 (714.8) o EQ188
o TS1660 (720.6) o EQ188
o TS1661 (703.2) o EQ220
o TS1662 (708.7) o EQ220
o TS1663 (821.9) o EQ220
o TS1664 (848.3) o EQ314
[ EQ186 ] C1 ENERGY= 663.8 kJ/mol ( -378.0666723 Hartree)
Energy+ZPE= 648.6 kJ/mol ZPE= 0.0437729
CONNECTIONS:
o TS1088 (826.8) o EQ101
o TS1089 (828.6) o EQ101
o TS1177 (824.8) o EQ114
o TS1178 (827.9) o EQ114
o TS1273 (846.0) o EQ129
o TS1274 (856.2) o EQ129
o TS1665 (668.9) o EQ190
o TS1666 (925.7) o EQ190
o TS1667 (678.4) o EQ203
o TS1668 (684.8) o EQ203
o TS1669 (694.2) o EQ212
o TS1670 (713.9) o EQ213
o TS1671 (697.7) o EQ223
o TS1672 (972.9) o EQ425
o TS1673 (1114.4) o EQ460
o TS1674 (665.7) o DDC474
o TS1675 (875.6) o DDC475
[ EQ187 ] C1 ENERGY= 664.5 kJ/mol ( -378.0664048 Hartree)
Energy+ZPE= 648.6 kJ/mol ZPE= 0.0434919
CONNECTIONS:
o TS1676 (733.4) o EQ189
o TS1677 (666.0) o EQ193
o TS1678 (664.5) o DDC476
o TS1679 (752.1) o DDC477
o TS1680 (759.8) o DDC478
[ EQ188 ] C1 ENERGY= 664.6 kJ/mol ( -378.0663588 Hartree)
Energy+ZPE= 653.9 kJ/mol ZPE= 0.0454732
CONNECTIONS:
o TS6 (685.6) o EQ0
o TS7 (702.9) o EQ0
o TS1148 (702.8) o EQ111
o TS1229 (673.2) o EQ123
o TS1659 (714.8) o EQ185
o TS1660 (720.6) o EQ185
o TS1681 (721.2) o EQ279
o TS1682 (863.1) o EQ307
o TS1683 (848.4) o EQ312
o TS1684 (685.5) o DDC479
[ EQ189 ] C2h ENERGY= 664.7 kJ/mol ( -378.0663132 Hartree)
Energy+ZPE= 647.8 kJ/mol ZPE= 0.0431069
CONNECTIONS:
o TS1194 (708.0) o EQ116
o TS1676 (733.4) o EQ187
o TS1685 (665.3) o DDC480
o TS1686 (668.3) o DDC481
o TS1687 (739.8) o DDC482
o TS1688 (755.6) o DDC483
o TS1689 (811.2) o DDC484
[ EQ190 ] C1 ENERGY= 665.0 kJ/mol ( -378.0662124 Hartree)
Energy+ZPE= 649.9 kJ/mol ZPE= 0.0438085
CONNECTIONS:
o TS1079 (842.8) o EQ100
o TS1275 (848.4) o EQ129
o TS1665 (668.9) o EQ186
o TS1666 (925.7) o EQ186
o TS1690 (679.1) o EQ198
o TS1691 (680.7) o EQ198
o TS1692 (693.0) o EQ216
o TS1693 (979.9) o EQ425
o TS1694 (667.1) o DDC485
o TS3900 (946.5) o xx
o UDC219 o
[ EQ191 ] Cs ENERGY= 665.3 kJ/mol ( -378.0660884 Hartree)
Energy+ZPE= 658.7 kJ/mol ZPE= 0.0470230
CONNECTIONS:
o TS333 (688.9) o EQ33
o TS1695 (683.3) o EQ219
[ EQ192 ] C1 ENERGY= 665.4 kJ/mol ( -378.0660436 Hartree)
Energy+ZPE= 649.7 kJ/mol ZPE= 0.0435769
CONNECTIONS:
o TS405 (689.5) o EQ40
o TS1622 (666.4) o EQ179
o TS1652 (695.4) o EQ184
o TS1696 (670.4) o EQ194
o TS1697 (754.9) o DDC486
o TS1698 (840.1) o DDC487
o UDC220 o
[ EQ193 ] C1 ENERGY= 665.9 kJ/mol ( -378.0658544 Hartree)
Energy+ZPE= 650.5 kJ/mol ZPE= 0.0436994
CONNECTIONS:
o TS1677 (666.0) o EQ187
o TS1699 (666.0) o DDC488
o TS1700 (760.4) o DDC489
o TS1701 (805.0) o DDC490
[ EQ194 ] C1 ENERGY= 668.7 kJ/mol ( -378.0647895 Hartree)
Energy+ZPE= 652.9 kJ/mol ZPE= 0.0435302
CONNECTIONS:
o TS453 (918.1) o EQ43
o TS1623 (668.9) o EQ179
o TS1653 (691.9) o EQ184
o TS1696 (670.4) o EQ192
[ EQ195 ] Cs ENERGY= 668.8 kJ/mol ( -378.0647504 Hartree)
Energy+ZPE= 651.3 kJ/mol ZPE= 0.0428698
CONNECTIONS:
o TS224 (761.9) o EQ23
o TS853 (741.3) o EQ73
o TS1297 (746.6) o EQ131
o TS1702 (995.3) o EQ195
o TS1703 (707.0) o EQ196
o TS1704 (767.3) o EQ205
o TS1705 (1003.3) o EQ206
o TS1706 (699.7) o EQ210
o TS1707 (811.7) o EQ253
o TS1708 (822.0) o EQ265
o TS1709 (997.6) o EQ398
o TS1710 (992.9) o EQ428
o TS1711 (767.2) o DDC491
o TS1712 (778.2) o DDC492
o UDC221 o
[ EQ196 ] Cs ENERGY= 670.9 kJ/mol ( -378.0639380 Hartree)
Energy+ZPE= 651.6 kJ/mol ZPE= 0.0422086
CONNECTIONS:
o TS1703 (707.0) o EQ195
o TS1713 (765.8) o EQ221
o TS1714 (671.7) o DDC493
o TS1715 (679.5) o DDC494
o TS1716 (708.9) o DDC495
o TS1717 (719.9) o DDC496
[ EQ197 ] Cs ENERGY= 671.9 kJ/mol ( -378.0635762 Hartree)
Energy+ZPE= 656.1 kJ/mol ZPE= 0.0435381
CONNECTIONS:
o TS231 (764.3) o EQ24
o TS232 (767.8) o EQ24
o TS1276 (743.2) o EQ129
o TS1718 (681.8) o EQ205
o TS1719 (705.0) o EQ221
o TS1720 (813.8) o EQ256
o TS1721 (819.5) o EQ266
o TS1722 (824.5) o EQ275
o TS1723 (830.6) o EQ283
o TS1724 (1002.0) o EQ403
o TS1725 (1024.4) o EQ403
o TS1726 (1001.6) o EQ418
o TS1727 (699.9) o DDC497
o TS1728 (739.6) o DDC498
o TS1729 (770.0) o DDC499
o TS1730 (776.9) o DDC500
o UDC222 o
o UDC223 o
[ EQ198 ] C1 ENERGY= 673.8 kJ/mol ( -378.0628343 Hartree)
Energy+ZPE= 657.9 kJ/mol ZPE= 0.0435031
CONNECTIONS:
o TS1149 (837.5) o EQ111
o TS1690 (679.1) o EQ190
o TS1691 (680.7) o EQ190
o TS1731 (680.9) o EQ203
o TS1732 (702.7) o EQ218
o TS1733 (936.1) o EQ390
o TS1734 (679.7) o DDC501
o TS1735 (920.5) o DDC502
[ EQ199 ] Cs ENERGY= 676.4 kJ/mol ( -378.0618597 Hartree)
Energy+ZPE= 664.6 kJ/mol ZPE= 0.0450716
CONNECTIONS:
o TS831 (698.9) o EQ72
o TS1239 (759.5) o EQ124
o TS1736 (762.0) o EQ207
o TS1737 (798.7) o EQ214
o TS1738 (740.3) o EQ286
o TS1739 (1040.9) o EQ398
o UDC224 o
o UDC225 o
o UDC226 o
[ EQ200 ] C1 ENERGY= 676.7 kJ/mol ( -378.0617430 Hartree)
Energy+ZPE= 663.0 kJ/mol ZPE= 0.0443304
CONNECTIONS:
o TS124 (693.0) o EQ8
o TS682 (838.6) o EQ58
o TS1481 (828.6) o EQ155
o TS1740 (685.7) o EQ200
o TS1741 (682.9) o EQ211
o TS1742 (780.0) o EQ243
o TS1743 (850.2) o EQ328
o TS1744 (689.8) o DDC503
o TS1745 (697.8) o DDC504
o TS1746 (851.5) o DDC505
o TS1747 (853.3) o DDC506
[ EQ201 ] C1 ENERGY= 676.7 kJ/mol ( -378.0617317 Hartree)
Energy+ZPE= 663.9 kJ/mol ZPE= 0.0446760
CONNECTIONS:
o TS454 (811.3) o EQ43
o TS892 (682.6) o EQ76
o TS1472 (696.9) o EQ154
o TS1525 (702.4) o EQ163
o TS1748 (680.2) o EQ204
o TS1749 (685.3) o EQ204
o TS1750 (680.6) o DDC507
o UDC227 o
[ EQ202 ] C1 ENERGY= 676.8 kJ/mol ( -378.0617059 Hartree)
Energy+ZPE= 667.4 kJ/mol ZPE= 0.0459587
CONNECTIONS:
o TS911 (692.2) o EQ78
o TS1169 (702.3) o EQ113
o TS1751 (684.9) o EQ222
o TS1752 (685.1) o EQ222
o TS1753 (693.1) o EQ227
o TS1754 (1010.1) o EQ389
o TS1755 (994.6) o DDC508
[ EQ203 ] C1 ENERGY= 677.8 kJ/mol ( -378.0613069 Hartree)
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0432255
CONNECTIONS:
o TS1667 (678.4) o EQ186
o TS1668 (684.8) o EQ186
o TS1731 (680.9) o EQ198
o TS1756 (942.7) o EQ391
o TS1757 (680.3) o DDC509
[ EQ204 ] C1 ENERGY= 678.6 kJ/mol ( -378.0610315 Hartree)
Energy+ZPE= 665.5 kJ/mol ZPE= 0.0445599
CONNECTIONS:
o TS893 (679.8) o EQ76
o TS1130 (685.4) o EQ106
o TS1534 (704.8) o EQ164
o TS1553 (707.3) o EQ166
o TS1748 (680.2) o EQ201
o TS1749 (685.3) o EQ201
[ EQ205 ] Cs ENERGY= 678.9 kJ/mol ( -378.0608997 Hartree)
Energy+ZPE= 663.2 kJ/mol ZPE= 0.0435658
CONNECTIONS:
o TS903 (832.3) o EQ77
o TS1704 (767.3) o EQ195
o TS1718 (681.8) o EQ197
o TS1758 (992.6) o EQ205
o TS1759 (985.7) o EQ424
o TS1760 (780.2) o DDC510
o TS1761 (867.7) o DDC511
o UDC228 o
[ EQ206 ] C1 ENERGY= 680.1 kJ/mol ( -378.0604292 Hartree)
Energy+ZPE= 667.8 kJ/mol ZPE= 0.0448494
CONNECTIONS:
o TS109 (687.0) o EQ7
o TS110 (726.5) o EQ7
o TS538 (720.8) o EQ47
o TS854 (685.2) o EQ73
o TS1090 (689.6) o EQ101
o TS1305 (913.6) o EQ132
o TS1330 (901.6) o EQ134
o TS1705 (1003.3) o EQ195
o TS1762 (697.9) o EQ215
o TS1763 (699.1) o EQ215
o TS1764 (823.6) o EQ215
o TS1765 (825.4) o EQ216
o TS1766 (840.9) o EQ313
o TS1767 (910.3) o EQ314
o TS1768 (731.5) o DDC512
[ EQ207 ] Cs ENERGY= 680.5 kJ/mol ( -378.0602763 Hartree)
Energy+ZPE= 670.4 kJ/mol ZPE= 0.0457022
CONNECTIONS:
o TS99 (700.4) o EQ6
o TS1250 (762.4) o EQ127
o TS1736 (762.0) o EQ199
o TS1769 (799.4) o EQ209
o TS1770 (732.7) o EQ254
o TS1771 (885.6) o EQ293
o TS1772 (1044.8) o EQ403
o UDC229 o
o UDC230 o
o UDC231 o
[ EQ208 ] C1 ENERGY= 680.8 kJ/mol ( -378.0601741 Hartree)
Energy+ZPE= 666.7 kJ/mol ZPE= 0.0441581
CONNECTIONS:
o TS578 (697.3) o EQ49
o TS1500 (710.9) o EQ159
o TS1773 (730.2) o EQ258
o TS1774 (683.4) o DDC513
o TS1775 (684.0) o DDC514
o TS1776 (694.0) o DDC515
o TS1777 (732.0) o DDC516
[ EQ209 ] Cs ENERGY= 681.3 kJ/mol ( -378.0599780 Hartree)
Energy+ZPE= 670.1 kJ/mol ZPE= 0.0452685
CONNECTIONS:
o TS1251 (727.8) o EQ127
o TS1769 (799.4) o EQ207
o TS1778 (762.9) o EQ214
o TS1779 (703.6) o EQ244
o TS1780 (737.9) o EQ252
o TS1781 (799.7) o EQ256
o TS1782 (1452.1) o EQ566
o UDC232 o
o UDC233 o
o UDC234 o
o UDC235 o
[ EQ210 ] C1 ENERGY= 681.4 kJ/mol ( -378.0599409 Hartree)
Energy+ZPE= 664.4 kJ/mol ZPE= 0.0430544
CONNECTIONS:
o TS1706 (699.7) o EQ195
o TS1783 (766.0) o EQ229
o TS1784 (826.2) o EQ270
o TS1785 (814.0) o EQ282
o TS1786 (686.7) o DDC517
o TS1787 (711.6) o DDC518
o TS1788 (810.0) o DDC519
[ EQ211 ] Cs ENERGY= 681.8 kJ/mol ( -378.0597937 Hartree)
Energy+ZPE= 668.0 kJ/mol ZPE= 0.0442945
CONNECTIONS:
o TS1488 (828.7) o EQ156
o TS1741 (682.9) o EQ200
o TS1789 (776.7) o EQ226
o TS1790 (702.5) o EQ234
o UDC236 o
[ EQ212 ] C1 ENERGY= 681.9 kJ/mol ( -378.0597742 Hartree)
Energy+ZPE= 667.7 kJ/mol ZPE= 0.0441295
CONNECTIONS:
o TS8 (821.0) o EQ0
o TS1669 (694.2) o EQ186
o TS1791 (1029.3) o EQ218
o TS1792 (685.3) o EQ224
o TS1793 (690.0) o EQ233
o TS1794 (692.1) o EQ233
o TS1795 (864.3) o EQ313
o TS1796 (699.6) o DDC520
o UDC237 o
[ EQ213 ] C1 ENERGY= 681.9 kJ/mol ( -378.0597499 Hartree)
Energy+ZPE= 667.2 kJ/mol ZPE= 0.0439536
CONNECTIONS:
o TS1670 (713.9) o EQ186
o TS1797 (1035.6) o EQ213
o TS1798 (683.6) o EQ216
o TS1799 (686.2) o EQ218
o TS1800 (692.7) o EQ218
o TS1801 (687.6) o EQ224
o TS1802 (854.9) o EQ313
o TS1803 (693.7) o DDC521
o UDC238 o
[ EQ214 ] Cs ENERGY= 682.6 kJ/mol ( -378.0594938 Hartree)
Energy+ZPE= 669.5 kJ/mol ZPE= 0.0445645
CONNECTIONS:
o TS1240 (728.8) o EQ124
o TS1737 (798.7) o EQ199
o TS1778 (762.9) o EQ209
o TS1804 (704.7) o EQ248
o TS1805 (801.2) o EQ253
o TS1806 (746.8) o EQ287
o TS1807 (797.1) o DDC522
o TS1808 (802.6) o DDC523
o UDC239 o
o UDC240 o
o UDC241 o
[ EQ215 ] C1 ENERGY= 682.7 kJ/mol ( -378.0594503 Hartree)
Energy+ZPE= 671.0 kJ/mol ZPE= 0.0451060
CONNECTIONS:
o TS83 (692.0) o EQ5
o TS539 (722.2) o EQ47
o TS855 (696.0) o EQ73
o TS946 (1041.2) o EQ81
o TS1762 (697.9) o EQ206
o TS1763 (699.1) o EQ206
o TS1764 (823.6) o EQ206
o TS1809 (727.3) o EQ257
o TS1810 (729.3) o EQ257
o TS1811 (831.6) o EQ313
o TS1812 (900.6) o EQ314
[ EQ216 ] C1 ENERGY= 682.8 kJ/mol ( -378.0594062 Hartree)
Energy+ZPE= 668.1 kJ/mol ZPE= 0.0439341
CONNECTIONS:
o TS1331 (852.5) o EQ134
o TS1692 (693.0) o EQ190
o TS1765 (825.4) o EQ206
o TS1798 (683.6) o EQ213
o TS1813 (701.5) o EQ224
o TS1814 (690.4) o EQ235
o TS1815 (885.7) o DDC524
o UDC242 o
[ EQ217 ] C1 ENERGY= 682.9 kJ/mol ( -378.0593696 Hartree)
Energy+ZPE= 673.3 kJ/mol ZPE= 0.0458882
CONNECTIONS:
o TS455 (690.7) o EQ43
o TS727 (706.2) o EQ62
o TS1644 (760.5) o EQ182
o TS1816 (796.3) o EQ217
o TS1817 (698.3) o EQ230
o TS1818 (715.5) o EQ237
o TS1819 (716.9) o EQ239
o TS1820 (1047.3) o EQ447
o TS1821 (1073.1) o EQ447
o TS1822 (1018.7) o EQ449
o TS1823 (1064.6) o EQ459
o TS1824 (801.1) o DDC525
o UDC243 o
o UDC244 o
[ EQ218 ] C1 ENERGY= 683.1 kJ/mol ( -378.0592909 Hartree)
Energy+ZPE= 668.7 kJ/mol ZPE= 0.0440448
CONNECTIONS:
o TS84 (821.7) o EQ5
o TS1732 (702.7) o EQ198
o TS1791 (1029.3) o EQ212
o TS1799 (686.2) o EQ213
o TS1800 (692.7) o EQ213
o TS1825 (690.5) o EQ223
o TS1826 (711.0) o EQ223
o TS1827 (692.3) o EQ233
o TS1828 (690.5) o EQ235
o TS1829 (689.3) o EQ236
o TS1830 (850.7) o EQ307
o TS1831 (1116.1) o EQ475
o TS1832 (692.0) o DDC526
o TS1833 (1109.3) o DDC527
[ EQ219 ] Cs ENERGY= 683.3 kJ/mol ( -378.0592382 Hartree)
Energy+ZPE= 675.7 kJ/mol ZPE= 0.0466651
CONNECTIONS:
o TS1695 (683.3) o EQ191
o TS1834 (744.1) o DDC528
[ EQ220 ] C1 ENERGY= 684.2 kJ/mol ( -378.0588851 Hartree)
Energy+ZPE= 671.9 kJ/mol ZPE= 0.0448567
CONNECTIONS:
o TS142 (698.7) o EQ10
o TS856 (692.1) o EQ73
o TS1080 (701.6) o EQ100
o TS1366 (912.9) o EQ139
o TS1661 (703.2) o EQ185
o TS1662 (708.7) o EQ185
o TS1663 (821.9) o EQ185
o TS1835 (823.9) o EQ220
o TS1836 (833.3) o EQ224
o TS1837 (732.4) o EQ279
o TS1838 (868.9) o EQ321
o TS1839 (736.6) o DDC529
o TS1840 (740.8) o DDC530
[ EQ221 ] C1 ENERGY= 684.4 kJ/mol ( -378.0588150 Hartree)
Energy+ZPE= 666.7 kJ/mol ZPE= 0.0428066
CONNECTIONS:
o TS894 (833.0) o EQ76
o TS1713 (765.8) o EQ196
o TS1719 (705.0) o EQ197
o TS1841 (684.4) o EQ221
o TS1842 (692.9) o EQ238
o TS1843 (1005.5) o EQ238
o TS1844 (696.1) o EQ246
o TS1845 (826.5) o EQ266
o TS1846 (1019.4) o EQ275
o TS1847 (1017.1) o EQ418
o TS1848 (1017.5) o EQ418
o TS1849 (1000.2) o EQ433
o TS1850 (1032.0) o EQ433
o TS1851 (716.9) o DDC531
o TS1852 (824.9) o DDC532
o UDC245 o
o UDC246 o
[ EQ222 ] C1 ENERGY= 684.4 kJ/mol ( -378.0587899 Hartree)
Energy+ZPE= 673.3 kJ/mol ZPE= 0.0453147
CONNECTIONS:
o TS1170 (700.7) o EQ113
o TS1751 (684.9) o EQ202
o TS1752 (685.1) o EQ202
o TS1853 (686.2) o EQ227
o TS1854 (1034.3) o EQ388
[ EQ223 ] C1 ENERGY= 684.5 kJ/mol ( -378.0587801 Hartree)
Energy+ZPE= 670.4 kJ/mol ZPE= 0.0441812
CONNECTIONS:
o TS1367 (859.9) o EQ139
o TS1671 (697.7) o EQ186
o TS1825 (690.5) o EQ218
o TS1826 (711.0) o EQ218
o TS1855 (689.7) o EQ233
o TS1856 (1015.6) o EQ390
o TS1857 (1119.0) o EQ472
o TS1858 (872.7) o DDC533
o TS1859 (915.2) o DDC534
[ EQ224 ] C1 ENERGY= 684.7 kJ/mol ( -378.0586880 Hartree)
Energy+ZPE= 669.9 kJ/mol ZPE= 0.0438938
CONNECTIONS:
o TS1368 (848.4) o EQ139
o TS1792 (685.3) o EQ212
o TS1801 (687.6) o EQ213
o TS1813 (701.5) o EQ216
o TS1836 (833.3) o EQ220
o UDC247 o
[ EQ225 ] C1 ENERGY= 684.8 kJ/mol ( -378.0586608 Hartree)
Energy+ZPE= 675.6 kJ/mol ZPE= 0.0460555
CONNECTIONS:
o TS718 (705.4) o EQ61
o TS728 (762.6) o EQ62
o TS799 (749.9) o EQ70
o TS1624 (756.0) o EQ179
o TS1860 (709.7) o EQ230
o TS1861 (691.8) o EQ231
o TS1862 (713.2) o EQ237
o TS1863 (775.5) o DDC535
o TS1864 (951.1) o DDC536
o UDC248 o
o UDC249 o
o UDC250 o
[ EQ226 ] Cs ENERGY= 685.0 kJ/mol ( -378.0585863 Hartree)
Energy+ZPE= 670.7 kJ/mol ZPE= 0.0441004
CONNECTIONS:
o TS100 (780.0) o EQ6
o TS101 (790.9) o EQ6
o TS1543 (831.6) o EQ165
o TS1789 (776.7) o EQ211
o TS1865 (704.2) o EQ228
o TS1866 (693.2) o EQ243
o TS1867 (698.6) o DDC537
o TS1868 (828.9) o DDC538
[ EQ227 ] C1 ENERGY= 685.1 kJ/mol ( -378.0585226 Hartree)
Energy+ZPE= 675.2 kJ/mol ZPE= 0.0457883
CONNECTIONS:
o TS947 (1023.9) o EQ81
o TS1065 (701.3) o EQ98
o TS1753 (693.1) o EQ202
o TS1853 (686.2) o EQ222
o TS1869 (693.5) o EQ227
o TS1870 (1008.4) o DDC539
[ EQ228 ] Cs ENERGY= 685.4 kJ/mol ( -378.0584152 Hartree)
Energy+ZPE= 670.4 kJ/mol ZPE= 0.0438161
CONNECTIONS:
o TS158 (777.1) o EQ11
o TS159 (792.7) o EQ11
o TS1865 (704.2) o EQ226
o TS1871 (784.0) o EQ234
o TS1872 (708.5) o EQ243
o TS1873 (707.3) o EQ262
o TS1874 (873.4) o EQ334
o TS1875 (708.3) o DDC540
o TS1876 (708.8) o DDC541
o TS1877 (789.9) o DDC542
o TS1878 (832.4) o DDC543
[ EQ229 ] C1 ENERGY= 685.5 kJ/mol ( -378.0584070 Hartree)
Energy+ZPE= 670.3 kJ/mol ZPE= 0.0437422
CONNECTIONS:
o TS1783 (766.0) o EQ210
o TS1879 (685.7) o EQ229
o TS1880 (815.3) o EQ284
o TS1881 (688.7) o DDC544
o TS1882 (716.4) o DDC545
o TS1883 (719.8) o DDC546
o TS1884 (774.2) o DDC547
o TS1885 (813.3) o DDC548
[ EQ230 ] C1 ENERGY= 685.9 kJ/mol ( -378.0582399 Hartree)
Energy+ZPE= 676.7 kJ/mol ZPE= 0.0460429
CONNECTIONS:
o TS579 (701.8) o EQ49
o TS741 (710.1) o EQ63
o TS800 (768.6) o EQ70
o TS1817 (698.3) o EQ217
o TS1860 (709.7) o EQ225
o TS1886 (691.0) o EQ239
o TS1887 (786.3) o DDC549
o UDC251 o
o UDC252 o
[ EQ231 ] C1 ENERGY= 686.4 kJ/mol ( -378.0580593 Hartree)
Energy+ZPE= 677.1 kJ/mol ZPE= 0.0460218
CONNECTIONS:
o TS552 (747.1) o EQ48
o TS719 (710.4) o EQ61
o TS742 (708.1) o EQ63
o TS1861 (691.8) o EQ225
o TS1888 (701.9) o EQ237
o TS1889 (784.0) o DDC550
o UDC253 o
[ EQ232 ] C1 ENERGY= 686.5 kJ/mol ( -378.0579966 Hartree)
Energy+ZPE= 671.6 kJ/mol ZPE= 0.0438889
CONNECTIONS:
o TS1416 (717.6) o EQ145
o TS1489 (707.7) o EQ156
o TS1890 (686.6) o DDC551
[ EQ233 ] C1 ENERGY= 687.4 kJ/mol ( -378.0576683 Hartree)
Energy+ZPE= 672.3 kJ/mol ZPE= 0.0437949
CONNECTIONS:
o TS1793 (690.0) o EQ212
o TS1794 (692.1) o EQ212
o TS1827 (692.3) o EQ218
o TS1855 (689.7) o EQ223
o TS1891 (1028.4) o EQ233
o TS1892 (860.3) o EQ307
o TS1893 (698.8) o DDC552
o TS1894 (928.5) o DDC553
o TS1895 (993.6) o DDC554
o UDC254 o
[ EQ234 ] Cs ENERGY= 687.7 kJ/mol ( -378.0575493 Hartree)
Energy+ZPE= 672.6 kJ/mol ZPE= 0.0437850
CONNECTIONS:
o TS160 (793.4) o EQ11
o TS1790 (702.5) o EQ211
o TS1871 (784.0) o EQ228
o TS1896 (876.4) o EQ331
o TS1897 (689.9) o DDC555
o TS1898 (843.2) o DDC556
o UDC255 o
[ EQ235 ] C1 ENERGY= 688.8 kJ/mol ( -378.0571183 Hartree)
Energy+ZPE= 674.5 kJ/mol ZPE= 0.0440905
CONNECTIONS:
o TS1332 (859.5) o EQ134
o TS1544 (924.6) o EQ165
o TS1814 (690.4) o EQ216
o TS1828 (690.5) o EQ218
o TS1899 (690.0) o EQ236
o TS1900 (817.4) o DDC557
[ EQ236 ] C1 ENERGY= 689.3 kJ/mol ( -378.0569526 Hartree)
Energy+ZPE= 673.7 kJ/mol ZPE= 0.0436051
CONNECTIONS:
o TS1829 (689.3) o EQ218
o TS1899 (690.0) o EQ235
o TS1901 (1012.8) o EQ391
[ EQ237 ] C1 ENERGY= 690.4 kJ/mol ( -378.0565384 Hartree)
Energy+ZPE= 681.0 kJ/mol ZPE= 0.0459747
CONNECTIONS:
o TS553 (700.3) o EQ48
o TS748 (711.3) o EQ64
o TS1818 (715.5) o EQ217
o TS1862 (713.2) o EQ225
o TS1888 (701.9) o EQ231
o UDC256 o
o UDC257 o
[ EQ238 ] C1 ENERGY= 690.6 kJ/mol ( -378.0564624 Hartree)
Energy+ZPE= 672.9 kJ/mol ZPE= 0.0427904
CONNECTIONS:
o TS1842 (692.9) o EQ221
o TS1843 (1005.5) o EQ221
o TS1902 (1000.3) o EQ433
o TS1903 (721.5) o DDC558
o TS1904 (772.4) o DDC559
[ EQ239 ] C1 ENERGY= 691.0 kJ/mol ( -378.0563104 Hartree)
Energy+ZPE= 681.1 kJ/mol ZPE= 0.0457857
CONNECTIONS:
o TS743 (709.7) o EQ63
o TS749 (777.3) o EQ64
o TS1819 (716.9) o EQ217
o TS1886 (691.0) o EQ230
o TS1905 (780.0) o DDC560
o TS1906 (861.5) o DDC561
o UDC258 o
o UDC259 o
[ EQ240 ] Cs ENERGY= 691.2 kJ/mol ( -378.0561984 Hartree)
Energy+ZPE= 679.9 kJ/mol ZPE= 0.0452379
CONNECTIONS:
o TS1907 (1141.0) o EQ245
o TS1908 (710.3) o DDC562
o TS1909 (722.4) o DDC563
[ EQ241 ] C1 ENERGY= 691.5 kJ/mol ( -378.0560849 Hartree)
Energy+ZPE= 672.3 kJ/mol ZPE= 0.0422467
CONNECTIONS:
o TS857 (695.1) o EQ73
o TS988 (726.7) o EQ86
o TS1910 (703.9) o EQ242
o TS1911 (704.0) o EQ242
o TS1912 (901.1) o EQ352
o TS1913 (695.5) o DDC564
o TS1914 (744.9) o DDC565
[ EQ242 ] C1 ENERGY= 691.6 kJ/mol ( -378.0560831 Hartree)
Energy+ZPE= 672.5 kJ/mol ZPE= 0.0422834
CONNECTIONS:
o TS858 (692.1) o EQ73
o TS1910 (703.9) o EQ241
o TS1911 (704.0) o EQ241
o TS1915 (695.3) o DDC566
[ EQ243 ] C1 ENERGY= 692.3 kJ/mol ( -378.0557929 Hartree)
Energy+ZPE= 677.5 kJ/mol ZPE= 0.0439198
CONNECTIONS:
o TS1473 (838.7) o EQ154
o TS1742 (780.0) o EQ200
o TS1866 (693.2) o EQ226
o TS1872 (708.5) o EQ228
o TS1916 (744.1) o DDC567
o TS1917 (860.4) o DDC568
o TS3901 (865.9) o xx
[ EQ244 ] C1 ENERGY= 693.3 kJ/mol ( -378.0554354 Hartree)
Energy+ZPE= 681.6 kJ/mol ZPE= 0.0450750
CONNECTIONS:
o TS646 (833.0) o EQ55
o TS801 (762.1) o EQ70
o TS1033 (848.2) o EQ92
o TS1360 (737.1) o EQ137
o TS1779 (703.6) o EQ209
o TS1918 (694.9) o EQ244
o TS1919 (776.1) o EQ248
o TS1920 (777.4) o EQ248
o TS1921 (726.3) o EQ264
o TS1922 (812.2) o EQ273
o TS1923 (1459.0) o EQ562
o UDC260 o
[ EQ245 ] Cs ENERGY= 693.4 kJ/mol ( -378.0553889 Hartree)
Energy+ZPE= 685.9 kJ/mol ZPE= 0.0466724
CONNECTIONS:
o TS1907 (1141.0) o EQ240
o TS1924 (1025.3) o EQ245
o TS1925 (836.4) o EQ318
o TS1926 (861.8) o EQ320
o TS1927 (982.8) o EQ427
o TS1928 (1032.6) o EQ442
o TS1929 (1042.2) o EQ447
o TS1930 (789.8) o DDC569
o TS1931 (864.9) o DDC570
o TS1932 (871.3) o DDC571
o TS1933 (1066.3) o DDC572
o TS1934 (1096.5) o DDC573
o UDC261 o
[ EQ246 ] C1 ENERGY= 695.7 kJ/mol ( -378.0545036 Hartree)
Energy+ZPE= 675.9 kJ/mol ZPE= 0.0419944
CONNECTIONS:
o TS1844 (696.1) o EQ221
o TS1935 (695.8) o DDC574
o TS1936 (697.7) o DDC575
[ EQ247 ] Cs ENERGY= 696.2 kJ/mol ( -378.0543151 Hartree)
Energy+ZPE= 686.5 kJ/mol ZPE= 0.0458551
CONNECTIONS:
o TS1937 (1001.5) o EQ441
o TS1938 (812.0) o DDC576
o TS1939 (818.8) o DDC577
o TS1940 (818.9) o DDC578
o TS1941 (823.6) o DDC579
o TS1942 (827.8) o DDC580
o TS1943 (828.3) o DDC581
o TS1944 (841.4) o DDC582
o TS1945 (847.5) o DDC583
o TS1946 (928.8) o DDC584
o TS1947 (982.6) o DDC585
o TS1948 (1013.4) o DDC586
o UDC262 o
o UDC263 o
[ EQ248 ] C1 ENERGY= 697.1 kJ/mol ( -378.0539690 Hartree)
Energy+ZPE= 683.2 kJ/mol ZPE= 0.0442617
CONNECTIONS:
o TS240 (920.0) o EQ26
o TS779 (765.8) o EQ68
o TS832 (815.1) o EQ72
o TS1363 (741.9) o EQ138
o TS1804 (704.7) o EQ214
o TS1919 (776.1) o EQ244
o TS1920 (777.4) o EQ244
o TS1949 (698.6) o EQ248
o TS1950 (855.2) o EQ264
o TS1951 (737.7) o EQ269
o TS1952 (813.1) o EQ270
o TS1953 (814.2) o DDC587
[ EQ249 ] C1 ENERGY= 697.2 kJ/mol ( -378.0539288 Hartree)
Energy+ZPE= 677.0 kJ/mol ZPE= 0.0418686
CONNECTIONS:
o TS1954 (703.2) o EQ249
o TS1955 (697.6) o DDC588
o TS1956 (697.6) o DDC589
[ EQ250 ] C1 ENERGY= 697.8 kJ/mol ( -378.0537036 Hartree)
Energy+ZPE= 685.4 kJ/mol ZPE= 0.0448075
CONNECTIONS:
o TS948 (729.4) o EQ81
o TS1957 (752.5) o EQ299
o TS1958 (765.3) o EQ299
o TS1959 (925.4) o EQ321
o TS1960 (700.2) o DDC590
o TS1961 (746.9) o DDC591
o TS1962 (812.9) o DDC592
o TS3902 (749.3) o xx
o UDC264 o
[ EQ251 ] Cs ENERGY= 697.9 kJ/mol ( -378.0536617 Hartree)
Energy+ZPE= 689.8 kJ/mol ZPE= 0.0464805
CONNECTIONS:
o TS802 (751.9) o EQ70
o TS1963 (706.1) o EQ251
o TS1964 (725.6) o EQ263
o TS1965 (839.8) o EQ263
o TS1966 (785.3) o EQ312
o TS1967 (720.1) o DDC593
o TS1968 (836.3) o DDC594
o TS1969 (840.5) o DDC595
o TS1970 (841.2) o DDC596
o TS1971 (849.6) o DDC597
o TS1972 (860.1) o DDC598
o UDC265 o
[ EQ252 ] C1 ENERGY= 698.8 kJ/mol ( -378.0533038 Hartree)
Energy+ZPE= 686.5 kJ/mol ZPE= 0.0448472
CONNECTIONS:
o TS266 (921.4) o EQ29
o TS1003 (850.0) o EQ87
o TS1385 (751.8) o EQ140
o TS1780 (737.9) o EQ209
o TS1973 (822.4) o EQ254
o TS1974 (710.6) o EQ264
o TS1975 (782.0) o EQ287
o TS1976 (960.4) o DDC599
o UDC266 o
o UDC267 o
[ EQ253 ] Cs ENERGY= 700.0 kJ/mol ( -378.0528605 Hartree)
Energy+ZPE= 684.8 kJ/mol ZPE= 0.0437708
CONNECTIONS:
o TS225 (939.0) o EQ23
o TS1091 (774.2) o EQ101
o TS1306 (782.5) o EQ132
o TS1707 (811.7) o EQ195
o TS1805 (801.2) o EQ214
o TS1977 (1005.0) o EQ253
o TS1978 (713.3) o EQ265
o TS1979 (730.7) o EQ270
o TS1980 (977.0) o EQ398
o TS1981 (736.6) o DDC600
o TS1982 (805.6) o DDC601
[ EQ254 ] C1 ENERGY= 700.8 kJ/mol ( -378.0525618 Hartree)
Energy+ZPE= 689.2 kJ/mol ZPE= 0.0451459
CONNECTIONS:
o TS102 (707.2) o EQ6
o TS1386 (782.5) o EQ140
o TS1770 (732.7) o EQ207
o TS1973 (822.4) o EQ252
o TS1983 (783.5) o EQ286
o TS1984 (915.6) o EQ315
o TS1985 (1061.2) o EQ418
o TS1986 (949.6) o DDC602
o UDC268 o
o UDC269 o
[ EQ255 ] C1 ENERGY= 701.0 kJ/mol ( -378.0524905 Hartree)
Energy+ZPE= 684.5 kJ/mol ZPE= 0.0432528
CONNECTIONS:
o TS1987 (701.0) o DDC603
o TS1988 (731.2) o DDC604
o TS1989 (734.0) o DDC605
[ EQ256 ] Cs ENERGY= 701.0 kJ/mol ( -378.0524771 Hartree)
Energy+ZPE= 687.8 kJ/mol ZPE= 0.0445168
CONNECTIONS:
o TS212 (941.1) o EQ21
o TS1017 (852.6) o EQ89
o TS1179 (770.8) o EQ114
o TS1333 (779.1) o EQ134
o TS1720 (813.8) o EQ197
o TS1781 (799.7) o EQ209
o TS1990 (714.4) o EQ266
o TS1991 (729.7) o EQ273
o TS1992 (734.0) o EQ275
o TS1993 (980.5) o EQ403
o TS1994 (1461.5) o EQ565
o TS1995 (825.3) o DDC606
o UDC270 o
[ EQ257 ] C1 ENERGY= 701.2 kJ/mol ( -378.0523897 Hartree)
Energy+ZPE= 689.3 kJ/mol ZPE= 0.0450042
CONNECTIONS:
o TS70 (737.1) o EQ4
o TS580 (743.9) o EQ49
o TS1150 (713.3) o EQ111
o TS1809 (727.3) o EQ215
o TS1810 (729.3) o EQ215
o TS1996 (703.5) o EQ259
o TS1997 (702.0) o DDC607
[ EQ258 ] C1 ENERGY= 701.4 kJ/mol ( -378.0523301 Hartree)
Energy+ZPE= 685.9 kJ/mol ZPE= 0.0436489
CONNECTIONS:
o TS540 (714.2) o EQ47
o TS1773 (730.2) o EQ208
o TS1998 (868.4) o EQ322
o TS1999 (934.9) o EQ331
o TS2000 (701.5) o DDC608
o TS2001 (726.7) o DDC609
[ EQ259 ] C1 ENERGY= 701.7 kJ/mol ( -378.0522353 Hartree)
Energy+ZPE= 690.1 kJ/mol ZPE= 0.0451133
CONNECTIONS:
o TS71 (710.1) o EQ4
o TS1996 (703.5) o EQ257
o TS2002 (813.7) o EQ307
o TS2003 (707.7) o DDC610
o TS2004 (710.5) o DDC611
[ EQ260 ] C1 ENERGY= 702.0 kJ/mol ( -378.0520959 Hartree)
Energy+ZPE= 691.2 kJ/mol ZPE= 0.0454450
CONNECTIONS:
o TS859 (703.2) o EQ73
o TS882 (755.5) o EQ75
o TS1293 (783.9) o EQ130
o TS2005 (724.2) o EQ260
[ EQ261 ] C1 ENERGY= 704.1 kJ/mol ( -378.0512995 Hartree)
Energy+ZPE= 689.2 kJ/mol ZPE= 0.0438557
CONNECTIONS:
o TS2006 (739.0) o EQ268
o TS2007 (873.8) o EQ322
o TS2008 (964.6) o EQ416
o TS2009 (704.8) o DDC612
o TS2010 (710.2) o DDC613
o TS2011 (727.3) o DDC614
o TS2012 (987.9) o DDC615
o TS3903 (716.9) o xx
[ EQ262 ] C1 ENERGY= 705.6 kJ/mol ( -378.0507219 Hartree)
Energy+ZPE= 686.9 kJ/mol ZPE= 0.0424415
CONNECTIONS:
o TS1873 (707.3) o EQ228
o TS2013 (901.3) o EQ342
o TS2014 (881.5) o EQ350
o TS2015 (753.7) o DDC616
o TS2016 (869.2) o DDC617
[ EQ263 ] C1 ENERGY= 705.6 kJ/mol ( -378.0507160 Hartree)
Energy+ZPE= 694.5 kJ/mol ZPE= 0.0453282
CONNECTIONS:
o TS770 (756.8) o EQ67
o TS860 (717.5) o EQ73
o TS861 (719.1) o EQ73
o TS862 (853.0) o EQ73
o TS1277 (1034.6) o EQ129
o TS1964 (725.6) o EQ251
o TS1965 (839.8) o EQ251
o TS2017 (717.3) o EQ263
o TS2018 (724.9) o EQ281
o TS2019 (790.9) o EQ314
o TS2020 (840.3) o DDC618
o TS2021 (895.3) o DDC619
o TS2022 (897.8) o DDC620
o TS2023 (1012.4) o DDC621
o UDC271 o
[ EQ264 ] C1 ENERGY= 707.8 kJ/mol ( -378.0498958 Hartree)
Energy+ZPE= 694.9 kJ/mol ZPE= 0.0446286
CONNECTIONS:
o TS262 (923.6) o EQ28
o TS1387 (755.1) o EQ140
o TS1429 (758.1) o EQ148
o TS1921 (726.3) o EQ244
o TS1950 (855.2) o EQ248
o TS1974 (710.6) o EQ252
o TS2024 (783.2) o EQ269
o TS2025 (891.1) o DDC622
o TS2026 (1245.7) o DDC623
o UDC272 o
o UDC273 o
o UDC274 o
[ EQ265 ] Cs ENERGY= 711.1 kJ/mol ( -378.0486332 Hartree)
Energy+ZPE= 694.5 kJ/mol ZPE= 0.0432341
CONNECTIONS:
o TS1307 (782.2) o EQ132
o TS1708 (822.0) o EQ195
o TS1978 (713.3) o EQ253
o TS2027 (797.6) o EQ266
o TS2028 (740.3) o EQ282
o TS2029 (1026.9) o EQ428
o TS2030 (745.0) o DDC624
o TS2031 (817.7) o DDC625
o UDC275 o
o UDC276 o
[ EQ266 ] Cs ENERGY= 711.7 kJ/mol ( -378.0484264 Hartree)
Energy+ZPE= 697.2 kJ/mol ZPE= 0.0440221
CONNECTIONS:
o TS187 (790.2) o EQ17
o TS1369 (777.1) o EQ139
o TS1721 (819.5) o EQ197
o TS1845 (826.5) o EQ221
o TS1990 (714.4) o EQ256
o TS2027 (797.6) o EQ265
o TS2032 (743.8) o EQ283
o TS2033 (740.1) o EQ284
o UDC277 o
o UDC278 o
[ EQ267 ] Cs ENERGY= 712.3 kJ/mol ( -378.0481812 Hartree)
Energy+ZPE= 703.9 kJ/mol ZPE= 0.0463632
CONNECTIONS:
o TS964 (851.8) o EQ82
o TS1195 (865.2) o EQ116
o TS1278 (750.8) o EQ129
o TS1614 (817.2) o EQ178
o TS2034 (929.6) o EQ267
o TS2035 (773.6) o EQ277
o TS2036 (814.7) o EQ303
o TS2037 (1114.4) o EQ494
o TS2038 (993.1) o DDC626
o TS2039 (1088.1) o DDC627
o UDC279 o
[ EQ268 ] C1 ENERGY= 713.1 kJ/mol ( -378.0478729 Hartree)
Energy+ZPE= 696.9 kJ/mol ZPE= 0.0433661
CONNECTIONS:
o TS581 (724.6) o EQ49
o TS2006 (739.0) o EQ261
o TS2040 (713.8) o DDC628
o TS2041 (715.1) o DDC629
o TS2042 (718.9) o DDC630
[ EQ269 ] Cs ENERGY= 713.9 kJ/mol ( -378.0475695 Hartree)
Energy+ZPE= 699.1 kJ/mol ZPE= 0.0439220
CONNECTIONS:
o TS1433 (752.7) o EQ149
o TS1434 (754.8) o EQ149
o TS1951 (737.7) o EQ248
o TS2024 (783.2) o EQ264
o TS2043 (735.3) o EQ287
o TS2044 (834.2) o EQ296
o TS2045 (737.6) o DDC631
o UDC280 o
[ EQ270 ] C1 ENERGY= 714.5 kJ/mol ( -378.0473282 Hartree)
Energy+ZPE= 697.9 kJ/mol ZPE= 0.0432428
CONNECTIONS:
o TS1784 (826.2) o EQ210
o TS1952 (813.1) o EQ248
o TS1979 (730.7) o EQ253
o TS2046 (714.6) o EQ270
o TS2047 (799.5) o EQ273
o TS2048 (800.5) o EQ273
o TS2049 (726.5) o EQ282
o TS2050 (748.2) o EQ296
o TS2051 (798.2) o DDC632
o TS2052 (846.0) o DDC633
[ EQ271 ] C1 ENERGY= 715.0 kJ/mol ( -378.0471532 Hartree)
Energy+ZPE= 702.4 kJ/mol ZPE= 0.0447480
CONNECTIONS:
o TS604 (770.5) o EQ50
o TS1097 (751.9) o EQ103
o TS2053 (753.6) o EQ271
o TS2054 (1006.2) o EQ320
o TS2055 (736.1) o DDC634
o TS2056 (739.7) o DDC635
o TS2057 (742.7) o DDC636
o TS2058 (752.6) o DDC637
o TS2059 (752.7) o DDC638
o TS2060 (786.3) o DDC639
o TS2061 (836.9) o DDC640
o TS2062 (838.1) o DDC641
[ EQ272 ] C2h ENERGY= 716.2 kJ/mol ( -378.0467098 Hartree)
Energy+ZPE= 707.6 kJ/mol ZPE= 0.0462627
CONNECTIONS:
o TS2063 (735.9) o EQ289
o TS2064 (1068.2) o EQ310
o TS2065 (911.6) o EQ329
o TS2066 (897.3) o EQ330
o TS2067 (1075.0) o EQ464
o TS2068 (1111.2) o EQ477
o TS2069 (900.2) o DDC642
o UDC281 o
o UDC282 o
[ EQ273 ] C1 ENERGY= 716.5 kJ/mol ( -378.0465620 Hartree)
Energy+ZPE= 702.3 kJ/mol ZPE= 0.0441464
CONNECTIONS:
o TS252 (926.6) o EQ27
o TS1922 (812.2) o EQ244
o TS1991 (729.7) o EQ256
o TS2047 (799.5) o EQ270
o TS2048 (800.5) o EQ270
o TS2070 (718.4) o EQ273
o TS2071 (736.9) o EQ275
o TS2072 (729.7) o EQ284
o TS2073 (826.5) o DDC643
o TS2074 (829.5) o DDC644
o TS2075 (857.8) o DDC645
[ EQ274 ] Cs ENERGY= 716.6 kJ/mol ( -378.0465551 Hartree)
Energy+ZPE= 700.2 kJ/mol ZPE= 0.0432893
CONNECTIONS:
o TS803 (732.1) o EQ70
o TS1501 (771.5) o EQ159
o TS2076 (722.1) o DDC646
o UDC283 o
o UDC284 o
[ EQ275 ] C1 ENERGY= 717.0 kJ/mol ( -378.0463812 Hartree)
Energy+ZPE= 702.5 kJ/mol ZPE= 0.0440236
CONNECTIONS:
o TS1055 (864.6) o EQ95
o TS1722 (824.5) o EQ197
o TS1846 (1019.4) o EQ221
o TS1992 (734.0) o EQ256
o TS2071 (736.9) o EQ273
o TS2077 (718.7) o EQ275
o TS2078 (729.4) o EQ283
o TS2079 (993.3) o EQ418
o TS2080 (1031.8) o EQ446
o TS2081 (761.6) o DDC647
o TS2082 (798.2) o DDC648
o TS2083 (837.8) o DDC649
o TS2084 (864.1) o DDC650
o TS2085 (872.7) o DDC651
[ EQ276 ] C1 ENERGY= 717.6 kJ/mol ( -378.0461802 Hartree)
Energy+ZPE= 704.8 kJ/mol ZPE= 0.0446634
CONNECTIONS:
o TS1034 (745.0) o EQ92
o TS2086 (719.0) o DDC652
o TS2087 (725.1) o DDC653
[ EQ277 ] Cs ENERGY= 717.7 kJ/mol ( -378.0461202 Hartree)
Energy+ZPE= 708.4 kJ/mol ZPE= 0.0460073
CONNECTIONS:
o TS1144 (871.9) o EQ109
o TS1279 (754.5) o EQ129
o TS1451 (807.8) o EQ151
o TS1615 (826.8) o EQ178
o TS1616 (827.9) o EQ178
o TS2035 (773.6) o EQ267
o TS2088 (819.5) o EQ278
o TS2089 (861.8) o EQ292
o TS2090 (965.3) o EQ339
o TS2091 (965.4) o EQ339
o TS2092 (873.5) o DDC654
[ EQ278 ] Cs ENERGY= 720.0 kJ/mol ( -378.0452383 Hartree)
Energy+ZPE= 709.8 kJ/mol ZPE= 0.0456544
CONNECTIONS:
o TS1319 (809.0) o EQ133
o TS1392 (760.2) o EQ141
o TS1393 (766.4) o EQ141
o TS1577 (815.6) o EQ170
o TS2088 (819.5) o EQ277
o TS2093 (789.6) o EQ303
o TS2094 (956.8) o EQ325
o TS2095 (857.8) o DDC655
o TS2096 (873.5) o DDC656
o TS2097 (955.0) o DDC657
o TS2098 (1014.9) o DDC658
o UDC285 o
[ EQ279 ] C1 ENERGY= 720.7 kJ/mol ( -378.0449837 Hartree)
Energy+ZPE= 708.6 kJ/mol ZPE= 0.0449363
CONNECTIONS:
o TS1681 (721.2) o EQ188
o TS1837 (732.4) o EQ220
o TS2099 (724.1) o DDC659
[ EQ280 ] C2v ENERGY= 721.8 kJ/mol ( -378.0445432 Hartree)
Energy+ZPE= 717.4 kJ/mol ZPE= 0.0478874
CONNECTIONS:
o TS292 (888.7) o EQ31
o TS2100 (1061.9) o EQ318
o TS2101 (988.0) o EQ330
o TS2102 (949.5) o EQ335
o TS2103 (922.0) o EQ356
o TS2104 (980.8) o EQ361
o TS2105 (872.6) o DDC660
o TS2106 (920.7) o DDC661
o TS2107 (1048.0) o DDC662
o UDC286 o
[ EQ281 ] C1 ENERGY= 722.0 kJ/mol ( -378.0445037 Hartree)
Energy+ZPE= 707.9 kJ/mol ZPE= 0.0441603
CONNECTIONS:
o TS863 (723.6) o EQ73
o TS1230 (776.3) o EQ123
o TS2018 (724.9) o EQ263
o TS2108 (1082.8) o DDC663
[ EQ282 ] C1 ENERGY= 723.1 kJ/mol ( -378.0440534 Hartree)
Energy+ZPE= 705.3 kJ/mol ZPE= 0.0427780
CONNECTIONS:
o TS205 (862.3) o EQ20
o TS241 (795.9) o EQ26
o TS1081 (781.7) o EQ100
o TS1785 (814.0) o EQ210
o TS2028 (740.3) o EQ265
o TS2049 (726.5) o EQ270
o TS2109 (723.2) o EQ282
o TS2110 (807.7) o DDC664
o TS2111 (824.9) o DDC665
[ EQ283 ] C1 ENERGY= 726.1 kJ/mol ( -378.0429174 Hartree)
Energy+ZPE= 710.2 kJ/mol ZPE= 0.0434839
CONNECTIONS:
o TS1093 (873.7) o EQ102
o TS1723 (830.6) o EQ197
o TS2032 (743.8) o EQ266
o TS2078 (729.4) o EQ275
o TS2112 (758.1) o DDC666
o TS2113 (803.5) o DDC667
o TS2114 (866.1) o DDC668
o TS2115 (869.9) o DDC669
o TS2116 (1006.0) o DDC670
[ EQ284 ] C1 ENERGY= 727.7 kJ/mol ( -378.0423332 Hartree)
Energy+ZPE= 712.1 kJ/mol ZPE= 0.0436225
CONNECTIONS:
o TS237 (798.1) o EQ25
o TS242 (862.4) o EQ26
o TS1880 (815.3) o EQ229
o TS2033 (740.1) o EQ266
o TS2072 (729.7) o EQ273
o TS2117 (729.9) o EQ284
o TS2118 (858.5) o DDC671
o TS2119 (1031.3) o DDC672
[ EQ285 ] Cs ENERGY= 731.6 kJ/mol ( -378.0408360 Hartree)
Energy+ZPE= 723.6 kJ/mol ZPE= 0.0465004
CONNECTIONS:
o TS1098 (894.4) o EQ103
o TS1099 (943.0) o EQ103
o TS1320 (1047.5) o EQ133
o TS1505 (1003.8) o EQ160
o TS2120 (890.8) o EQ319
o TS2121 (1099.1) o EQ393
o TS2122 (852.9) o DDC673
o TS2123 (864.1) o DDC674
o TS2124 (874.9) o DDC675
o TS2125 (877.2) o DDC676
o TS2126 (881.1) o DDC677
o UDC287 o
[ EQ286 ] C1 ENERGY= 733.7 kJ/mol ( -378.0400235 Hartree)
Energy+ZPE= 719.1 kJ/mol ZPE= 0.0439968
CONNECTIONS:
o TS1435 (832.4) o EQ149
o TS1738 (740.3) o EQ199
o TS1983 (783.5) o EQ254
o TS2127 (748.2) o EQ286
o TS2128 (857.0) o EQ287
o TS2129 (734.5) o DDC678
[ EQ287 ] C1 ENERGY= 733.8 kJ/mol ( -378.0399776 Hartree)
Energy+ZPE= 718.3 kJ/mol ZPE= 0.0436608
CONNECTIONS:
o TS219 (952.9) o EQ22
o TS1436 (777.7) o EQ149
o TS1437 (782.8) o EQ149
o TS1806 (746.8) o EQ214
o TS1975 (782.0) o EQ252
o TS2043 (735.3) o EQ269
o TS2128 (857.0) o EQ286
o TS2130 (743.4) o EQ287
o TS2131 (788.0) o DDC679
o TS2132 (860.4) o DDC680
o UDC288 o
o UDC289 o
[ EQ288 ] Cs ENERGY= 733.9 kJ/mol ( -378.0399590 Hartree)
Energy+ZPE= 718.9 kJ/mol ZPE= 0.0438239
CONNECTIONS:
o TS213 (881.0) o EQ21
o TS647 (765.7) o EQ55
o TS2133 (737.5) o DDC681
o TS2134 (756.1) o DDC682
o TS2135 (803.7) o DDC683
o UDC290 o
o UDC291 o
[ EQ289 ] C2 ENERGY= 734.4 kJ/mol ( -378.0397566 Hartree)
Energy+ZPE= 725.7 kJ/mol ZPE= 0.0462502
CONNECTIONS:
o TS2063 (735.9) o EQ272
o TS2136 (747.2) o EQ289
o TS2137 (925.7) o EQ330
o TS2138 (925.5) o EQ346
o TS2139 (947.9) o EQ351
o TS2140 (1083.4) o EQ466
o TS2141 (1084.8) o EQ468
o TS2142 (1130.5) o EQ484
o TS2143 (909.2) o DDC684
o TS2144 (913.1) o DDC685
o TS2145 (976.1) o DDC686
o UDC292 o
[ EQ290 ] Cs ENERGY= 736.6 kJ/mol ( -378.0389181 Hartree)
Energy+ZPE= 717.2 kJ/mol ZPE= 0.0421661
CONNECTIONS:
o TS648 (743.1) o EQ55
o TS965 (810.3) o EQ82
o TS1346 (905.7) o EQ135
o TS2146 (764.6) o DDC687
o TS2147 (802.0) o DDC688
o TS2148 (837.0) o DDC689
o UDC293 o
[ EQ291 ] Cs ENERGY= 739.2 kJ/mol ( -378.0379352 Hartree)
Energy+ZPE= 719.6 kJ/mol ZPE= 0.0420845
CONNECTIONS:
o TS2149 (790.4) o EQ297
o TS2150 (740.4) o DDC690
o TS2151 (740.5) o DDC691
o TS2152 (796.6) o DDC692
[ EQ292 ] C1 ENERGY= 740.6 kJ/mol ( -378.0374113 Hartree)
Energy+ZPE= 729.6 kJ/mol ZPE= 0.0453680
CONNECTIONS:
o TS949 (821.2) o EQ81
o TS950 (836.6) o EQ81
o TS1196 (755.5) o EQ116
o TS1221 (896.8) o EQ122
o TS1515 (820.1) o EQ162
o TS1617 (775.9) o EQ178
o TS2089 (861.8) o EQ277
o TS2153 (742.4) o EQ292
o TS2154 (770.1) o EQ294
o TS2155 (773.1) o EQ294
o TS2156 (1021.5) o DDC693
o TS2157 (1034.4) o DDC694
[ EQ293 ] Cs ENERGY= 741.3 kJ/mol ( -378.0371386 Hartree)
Energy+ZPE= 727.8 kJ/mol ZPE= 0.0444185
CONNECTIONS:
o TS966 (780.7) o EQ82
o TS1424 (907.9) o EQ147
o TS1771 (885.6) o EQ207
o TS2158 (883.8) o EQ297
o TS2159 (1082.4) o EQ395
o TS2160 (760.4) o DDC695
o TS2161 (785.4) o DDC696
o TS2162 (807.2) o DDC697
o TS2163 (807.7) o DDC698
o UDC294 o
o UDC295 o
[ EQ294 ] C1 ENERGY= 745.7 kJ/mol ( -378.0354535 Hartree)
Energy+ZPE= 733.8 kJ/mol ZPE= 0.0450296
CONNECTIONS:
o TS989 (820.7) o EQ86
o TS1171 (898.2) o EQ113
o TS1204 (749.1) o EQ117
o TS1603 (771.7) o EQ175
o TS2154 (770.1) o EQ292
o TS2155 (773.1) o EQ292
o TS2164 (753.4) o EQ294
o TS2165 (933.8) o EQ313
o TS2166 (1025.8) o EQ456
o TS2167 (1028.3) o EQ457
o TS2168 (1017.5) o DDC699
[ EQ295 ] C1 ENERGY= 745.7 kJ/mol ( -378.0354500 Hartree)
Energy+ZPE= 735.6 kJ/mol ZPE= 0.0456880
CONNECTIONS:
o TS1400 (791.3) o EQ142
o TS1452 (782.9) o EQ151
o TS2169 (751.1) o EQ295
o TS2170 (748.5) o EQ298
o TS2171 (984.7) o EQ389
o TS2172 (1092.9) o EQ447
o TS2173 (1098.6) o EQ486
o TS2174 (1122.2) o EQ506
o TS2175 (1009.2) o DDC700
o UDC296 o
o UDC297 o
[ EQ296 ] C1 ENERGY= 746.1 kJ/mol ( -378.0353250 Hartree)
Energy+ZPE= 727.7 kJ/mol ZPE= 0.0425227
CONNECTIONS:
o TS2044 (834.2) o EQ269
o TS2050 (748.2) o EQ270
o TS2176 (757.3) o DDC701
o TS2177 (771.8) o DDC702
o TS2178 (772.8) o DDC703
o TS2179 (807.6) o DDC704
[ EQ297 ] Cs ENERGY= 747.2 kJ/mol ( -378.0348912 Hartree)
Energy+ZPE= 733.8 kJ/mol ZPE= 0.0444401
CONNECTIONS:
o TS789 (776.9) o EQ69
o TS790 (798.2) o EQ69
o TS2149 (790.4) o EQ291
o TS2158 (883.8) o EQ293
o TS2180 (767.5) o EQ300
o TS2181 (897.9) o EQ347
o TS2182 (1102.1) o EQ403
o TS2183 (865.4) o DDC705
o TS2184 (869.6) o DDC706
o TS2185 (870.5) o DDC707
o UDC298 o
o UDC299 o
o UDC300 o
o UDC301 o
o UDC302 o
[ EQ298 ] C1 ENERGY= 747.4 kJ/mol ( -378.0348027 Hartree)
Energy+ZPE= 737.0 kJ/mol ZPE= 0.0455750
CONNECTIONS:
o TS1210 (779.5) o EQ118
o TS1321 (778.0) o EQ133
o TS2170 (748.5) o EQ295
o TS2186 (1004.9) o EQ388
[ EQ299 ] C1 ENERGY= 748.0 kJ/mol ( -378.0345925 Hartree)
Energy+ZPE= 735.4 kJ/mol ZPE= 0.0447495
CONNECTIONS:
o TS990 (760.9) o EQ86
o TS1334 (768.9) o EQ134
o TS1370 (754.8) o EQ139
o TS1957 (752.5) o EQ250
o TS1958 (765.3) o EQ250
o TS2187 (959.0) o DDC708
[ EQ300 ] Cs ENERGY= 752.7 kJ/mol ( -378.0328071 Hartree)
Energy+ZPE= 738.9 kJ/mol ZPE= 0.0443035
CONNECTIONS:
o TS895 (806.3) o EQ76
o TS896 (830.2) o EQ76
o TS977 (848.9) o EQ84
o TS1056 (785.6) o EQ95
o TS1564 (834.7) o EQ168
o TS1565 (835.8) o EQ168
o TS2180 (767.5) o EQ297
o UDC303 o
o UDC304 o
o UDC305 o
[ EQ301 ] C1 ENERGY= 757.0 kJ/mol ( -378.0311566 Hartree)
Energy+ZPE= 744.2 kJ/mol ZPE= 0.0446715
CONNECTIONS:
o TS375 (859.4) o EQ38
o TS394 (807.5) o EQ39
o TS487 (823.8) o EQ44
o TS488 (1090.6) o EQ44
o TS554 (810.6) o EQ48
o TS2188 (789.4) o EQ301
o TS2189 (794.6) o EQ301
o TS2190 (922.3) o EQ301
o TS2191 (970.7) o EQ301
o TS2192 (1115.9) o EQ301
o TS2193 (1148.0) o EQ308
o TS2194 (1148.1) o EQ308
o TS2195 (920.4) o EQ318
o TS2196 (961.3) o EQ343
o TS2197 (998.1) o EQ343
o TS2198 (1018.0) o EQ358
o TS2199 (1057.4) o EQ358
o TS2200 (1003.1) o EQ361
o TS2201 (1041.7) o EQ370
o TS2202 (1003.6) o EQ372
o TS2203 (995.7) o EQ373
o TS2204 (1005.4) o EQ375
o TS2205 (999.2) o EQ378
o TS2206 (913.4) o EQ385
o TS2207 (1072.7) o EQ392
o TS2208 (1136.3) o EQ400
o TS2209 (1116.0) o EQ415
o TS2210 (965.9) o EQ417
o TS2211 (975.4) o EQ421
o TS2212 (1279.7) o EQ421
o TS2213 (1037.9) o EQ451
o TS2214 (1103.8) o EQ451
o TS2215 (1033.7) o EQ454
o TS2216 (1096.7) o EQ454
o TS2217 (1049.2) o EQ470
o TS2218 (1051.7) o EQ471
o TS2219 (1109.9) o EQ475
o TS2220 (1107.5) o EQ476
o TS2221 (1052.6) o EQ478
o TS2222 (1052.7) o EQ479
o TS2223 (1110.8) o EQ480
o TS2224 (1118.3) o EQ486
o TS2225 (1112.9) o EQ493
o TS2226 (1116.8) o EQ496
o TS2227 (1121.9) o EQ505
o TS2228 (1104.1) o EQ507
o TS2229 (1112.8) o EQ507
o TS2230 (1203.3) o EQ539
o TS2231 (1250.8) o EQ540
o TS2232 (1292.0) o EQ540
o TS2233 (1003.7) o DDC709
o TS2234 (1135.0) o DDC710
o TS2235 (1193.6) o DDC711
o TS2236 (1202.8) o DDC712
o TS3904 (1111.5) o xx
o UDC306 o
[ EQ302 ] Cs ENERGY= 760.6 kJ/mol ( -378.0297799 Hartree)
Energy+ZPE= 738.9 kJ/mol ZPE= 0.0412712
CONNECTIONS:
o TS918 (765.9) o EQ79
o TS2237 (830.9) o EQ317
o TS2238 (770.5) o DDC713
o TS2239 (786.5) o DDC714
o TS2240 (846.3) o DDC715
o UDC307 o
o UDC308 o
[ EQ303 ] C1 ENERGY= 762.6 kJ/mol ( -378.0290401 Hartree)
Energy+ZPE= 749.4 kJ/mol ZPE= 0.0445305
CONNECTIONS:
o TS1260 (763.9) o EQ128
o TS1578 (835.6) o EQ170
o TS2036 (814.7) o EQ267
o TS2093 (789.6) o EQ278
o TS2241 (765.6) o EQ303
o TS2242 (868.8) o DDC716
[ EQ304 ] Cs ENERGY= 764.6 kJ/mol ( -378.0282773 Hartree)
Energy+ZPE= 749.0 kJ/mol ZPE= 0.0436103
CONNECTIONS:
o TS791 (778.6) o EQ69
o TS792 (813.6) o EQ69
o TS1040 (815.0) o EQ93
o TS1060 (900.6) o EQ96
o TS2243 (792.4) o EQ311
o TS2244 (824.8) o EQ332
o TS2245 (870.1) o DDC717
o TS2246 (889.1) o DDC718
o UDC309 o
o UDC310 o
o UDC311 o
[ EQ305 ] Cs ENERGY= 769.2 kJ/mol ( -378.0265201 Hartree)
Energy+ZPE= 746.1 kJ/mol ZPE= 0.0407391
CONNECTIONS:
o TS1566 (783.7) o EQ168
o TS2247 (769.6) o DDC719
o TS2248 (778.8) o DDC720
o TS2249 (824.7) o DDC721
[ EQ306 ] Cs ENERGY= 772.0 kJ/mol ( -378.0254354 Hartree)
Energy+ZPE= 755.6 kJ/mol ZPE= 0.0433137
CONNECTIONS:
o TS1057 (832.8) o EQ95
o TS1157 (839.0) o EQ112
o TS2250 (813.5) o EQ311
o TS2251 (826.9) o EQ332
o TS2252 (773.5) o DDC722
o TS2253 (798.7) o DDC723
o UDC312 o
o UDC313 o
[ EQ307 ] C1 ENERGY= 772.6 kJ/mol ( -378.0252074 Hartree)
Energy+ZPE= 759.5 kJ/mol ZPE= 0.0445478
CONNECTIONS:
o TS701 (874.9) o EQ60
o TS1682 (863.1) o EQ188
o TS1830 (850.7) o EQ218
o TS1892 (860.3) o EQ233
o TS2002 (813.7) o EQ259
o TS2254 (773.3) o EQ307
o TS2255 (826.9) o EQ307
o TS2256 (814.6) o EQ313
o TS2257 (834.1) o EQ313
o TS2258 (965.9) o EQ391
o TS2259 (950.9) o EQ402
o TS2260 (1177.6) o EQ511
o TS2261 (783.4) o DDC724
o TS2262 (1094.4) o DDC725
[ EQ308 ] C1 ENERGY= 776.2 kJ/mol ( -378.0238612 Hartree)
Energy+ZPE= 761.8 kJ/mol ZPE= 0.0440455
CONNECTIONS:
o TS673 (889.1) o EQ57
o TS674 (1297.1) o EQ57
o TS2193 (1148.0) o EQ301
o TS2194 (1148.1) o EQ301
o TS2263 (778.9) o EQ310
o TS2264 (796.8) o EQ310
o TS2265 (797.6) o EQ310
o TS2266 (788.1) o EQ316
o TS2267 (789.5) o EQ316
o TS2268 (1023.0) o EQ370
o TS2269 (992.6) o EQ394
o TS2270 (1004.3) o EQ405
o TS2271 (1005.0) o EQ405
o TS2272 (996.5) o EQ409
o TS2273 (997.7) o EQ409
o TS2274 (995.4) o EQ410
o TS2275 (997.2) o EQ410
o TS2276 (991.5) o EQ420
o TS2277 (1024.3) o EQ445
o TS2278 (1115.5) o EQ445
o TS2279 (1065.7) o EQ458
o TS2280 (1139.7) o EQ458
o TS2281 (1054.8) o EQ481
o TS2282 (802.2) o DDC726
o TS2283 (809.0) o DDC727
o TS2284 (1023.7) o DDC728
o UDC314 o
[ EQ309 ] Cs ENERGY= 777.6 kJ/mol ( -378.0232952 Hartree)
Energy+ZPE= 755.2 kJ/mol ZPE= 0.0410247
CONNECTIONS:
o TS2285 (784.3) o DDC729
o TS2286 (909.7) o DDC730
o TS2287 (938.1) o DDC731
[ EQ310 ] C1 ENERGY= 778.0 kJ/mol ( -378.0231709 Hartree)
Energy+ZPE= 763.6 kJ/mol ZPE= 0.0440635
CONNECTIONS:
o TS2064 (1068.2) o EQ272
o TS2263 (778.9) o EQ308
o TS2264 (796.8) o EQ308
o TS2265 (797.6) o EQ308
o TS2288 (1225.3) o EQ310
o TS2289 (994.3) o EQ406
o TS2290 (997.3) o EQ411
o TS2291 (998.0) o EQ411
o TS2292 (1031.9) o EQ449
o TS2293 (1112.2) o EQ449
o TS2294 (1187.0) o EQ449
o TS2295 (807.2) o DDC732
o TS2296 (812.7) o DDC733
o UDC315 o
[ EQ311 ] Cs ENERGY= 778.5 kJ/mol ( -378.0229475 Hartree)
Energy+ZPE= 762.1 kJ/mol ZPE= 0.0433175
CONNECTIONS:
o TS897 (794.4) o EQ76
o TS898 (907.4) o EQ76
o TS2243 (792.4) o EQ304
o TS2250 (813.5) o EQ306
o TS2297 (897.7) o DDC734
o UDC316 o
o UDC317 o
o UDC318 o
[ EQ312 ] Cs ENERGY= 784.1 kJ/mol ( -378.0208298 Hartree)
Energy+ZPE= 771.4 kJ/mol ZPE= 0.0447231
CONNECTIONS:
o TS1151 (879.1) o EQ111
o TS1683 (848.4) o EQ188
o TS1966 (785.3) o EQ251
o TS2298 (844.0) o EQ314
o TS2299 (858.1) o EQ321
o TS2300 (1039.9) o EQ424
o TS2301 (1206.3) o EQ510
o UDC319 o
[ EQ313 ] C1 ENERGY= 785.0 kJ/mol ( -378.0205001 Hartree)
Energy+ZPE= 773.6 kJ/mol ZPE= 0.0451875
CONNECTIONS:
o TS864 (847.5) o EQ73
o TS883 (884.8) o EQ75
o TS884 (887.7) o EQ75
o TS1280 (947.9) o EQ129
o TS1371 (886.0) o EQ139
o TS1766 (840.9) o EQ206
o TS1795 (864.3) o EQ212
o TS1802 (854.9) o EQ213
o TS1811 (831.6) o EQ215
o TS2165 (933.8) o EQ294
o TS2256 (814.6) o EQ307
o TS2257 (834.1) o EQ307
o TS2302 (817.9) o EQ313
o TS2303 (820.0) o EQ313
o TS2304 (934.1) o EQ313
o TS2305 (938.4) o EQ397
o TS2306 (942.1) o DDC735
o UDC320 o
o UDC321 o
[ EQ314 ] Cs ENERGY= 785.5 kJ/mol ( -378.0202985 Hartree)
Energy+ZPE= 773.5 kJ/mol ZPE= 0.0449858
CONNECTIONS:
o TS1082 (868.9) o EQ100
o TS1335 (1050.9) o EQ134
o TS1664 (848.3) o EQ185
o TS1767 (910.3) o EQ206
o TS1812 (900.6) o EQ215
o TS2019 (790.9) o EQ263
o TS2298 (844.0) o EQ312
o TS2307 (821.6) o EQ321
o TS2308 (952.7) o EQ321
o TS2309 (1048.9) o DDC736
o UDC322 o
[ EQ315 ] Cs ENERGY= 786.1 kJ/mol ( -378.0200754 Hartree)
Energy+ZPE= 769.1 kJ/mol ZPE= 0.0430627
CONNECTIONS:
o TS820 (789.8) o EQ71
o TS1222 (841.3) o EQ122
o TS1984 (915.6) o EQ254
o TS2310 (792.9) o DDC737
o TS2311 (874.6) o DDC738
[ EQ316 ] C1 ENERGY= 787.0 kJ/mol ( -378.0197187 Hartree)
Energy+ZPE= 773.6 kJ/mol ZPE= 0.0444298
CONNECTIONS:
o TS456 (1022.9) o EQ43
o TS702 (809.7) o EQ60
o TS703 (813.9) o EQ60
o TS2266 (788.1) o EQ308
o TS2267 (789.5) o EQ308
o TS2312 (791.3) o EQ316
o TS2313 (939.3) o EQ330
o TS2314 (997.7) o EQ343
o TS2315 (1001.9) o EQ400
o TS2316 (1159.4) o EQ451
o TS2317 (1325.0) o EQ500
o UDC323 o
[ EQ317 ] C1 ENERGY= 788.3 kJ/mol ( -378.0192368 Hartree)
Energy+ZPE= 762.1 kJ/mol ZPE= 0.0395717
CONNECTIONS:
o TS925 (788.4) o EQ80
o TS2237 (830.9) o EQ302
[ EQ318 ] Cs ENERGY= 808.6 kJ/mol ( -378.0115003 Hartree)
Energy+ZPE= 798.7 kJ/mol ZPE= 0.0457735
CONNECTIONS:
o TS489 (1009.3) o EQ44
o TS1925 (836.4) o EQ245
o TS2100 (1061.9) o EQ280
o TS2195 (920.4) o EQ301
o TS2318 (878.5) o EQ318
o TS2319 (915.6) o EQ320
o TS2320 (1007.0) o EQ442
o TS2321 (1040.7) o EQ448
o TS2322 (853.2) o DDC739
o TS2323 (1120.1) o DDC740
o UDC324 o
o UDC325 o
[ EQ319 ] Cs ENERGY= 810.3 kJ/mol ( -378.0108617 Hartree)
Energy+ZPE= 798.9 kJ/mol ZPE= 0.0452017
CONNECTIONS:
o TS2120 (890.8) o EQ285
o TS2324 (996.4) o EQ440
o TS2325 (875.9) o DDC741
o TS2326 (888.3) o DDC742
o TS2327 (904.1) o DDC743
o UDC326 o
[ EQ320 ] Cs ENERGY= 810.4 kJ/mol ( -378.0108032 Hartree)
Energy+ZPE= 798.9 kJ/mol ZPE= 0.0451631
CONNECTIONS:
o TS1926 (861.8) o EQ245
o TS2054 (1006.2) o EQ271
o TS2319 (915.6) o EQ318
o TS2328 (1239.9) o EQ320
o TS2329 (1102.9) o EQ427
o TS2330 (1087.7) o EQ486
o TS2331 (1151.9) o EQ508
o UDC327 o
[ EQ321 ] C1 ENERGY= 810.5 kJ/mol ( -378.0107792 Hartree)
Energy+ZPE= 797.1 kJ/mol ZPE= 0.0444597
CONNECTIONS:
o TS1838 (868.9) o EQ220
o TS1959 (925.4) o EQ250
o TS2299 (858.1) o EQ312
o TS2307 (821.6) o EQ314
o TS2308 (952.7) o EQ314
o TS2332 (841.4) o DDC744
[ EQ322 ] C1 ENERGY= 812.3 kJ/mol ( -378.0101041 Hartree)
Energy+ZPE= 797.8 kJ/mol ZPE= 0.0440363
CONNECTIONS:
o TS771 (858.9) o EQ67
o TS1998 (868.4) o EQ258
o TS2007 (873.8) o EQ261
o TS2333 (826.6) o EQ322
o TS2334 (830.3) o EQ322
o TS2335 (974.5) o EQ328
o TS2336 (822.9) o DDC745
o TS2337 (836.6) o DDC746
o TS2338 (851.6) o DDC747
o TS2339 (865.0) o DDC748
o TS2340 (868.4) o DDC749
o UDC328 o
[ EQ323 ] C1 ENERGY= 813.3 kJ/mol ( -378.0097170 Hartree)
Energy+ZPE= 800.8 kJ/mol ZPE= 0.0447973
CONNECTIONS:
o TS2341 (849.4) o EQ336
o TS2342 (814.8) o DDC750
o TS2343 (816.6) o DDC751
o TS2344 (816.7) o DDC752
o TS2345 (820.5) o DDC753
o UDC329 o
[ EQ324 ] C1 ENERGY= 815.3 kJ/mol ( -378.0089413 Hartree)
Energy+ZPE= 806.0 kJ/mol ZPE= 0.0460231
CONNECTIONS:
o TS1410 (841.0) o EQ144
o TS2346 (842.7) o EQ324
o TS2347 (828.2) o EQ338
o TS2348 (855.5) o EQ344
o TS2349 (872.3) o DDC754
o TS2350 (901.5) o DDC755
o TS2351 (926.8) o DDC756
o TS2352 (986.2) o DDC757
o UDC330 o
o UDC331 o
o UDC332 o
[ EQ325 ] C1 ENERGY= 816.5 kJ/mol ( -378.0084873 Hartree)
Energy+ZPE= 801.3 kJ/mol ZPE= 0.0437731
CONNECTIONS:
o TS1211 (843.1) o EQ118
o TS1308 (833.1) o EQ132
o TS1394 (854.0) o EQ141
o TS2094 (956.8) o EQ278
o TS2353 (936.6) o EQ339
o TS2354 (1030.8) o EQ398
o TS2355 (852.9) o DDC758
o TS2356 (886.4) o DDC759
o UDC333 o
[ EQ326 ] C1 ENERGY= 816.5 kJ/mol ( -378.0084792 Hartree)
Energy+ZPE= 799.7 kJ/mol ZPE= 0.0431494
CONNECTIONS:
o TS1336 (822.1) o EQ134
o TS2357 (818.5) o DDC760
o TS2358 (1042.7) o DDC761
o TS2359 (1054.3) o DDC762
o UDC334 o
[ EQ327 ] C1 ENERGY= 816.7 kJ/mol ( -378.0083980 Hartree)
Energy+ZPE= 800.0 kJ/mol ZPE= 0.0431710
CONNECTIONS:
o TS1309 (834.3) o EQ132
o TS1372 (822.6) o EQ139
o TS2360 (818.4) o DDC763
o TS2361 (823.1) o DDC764
o TS2362 (1042.7) o DDC765
o TS2363 (1167.7) o DDC766
o UDC335 o
[ EQ328 ] C1 ENERGY= 816.9 kJ/mol ( -378.0083496 Hartree)
Energy+ZPE= 800.9 kJ/mol ZPE= 0.0434609
CONNECTIONS:
o TS103 (818.8) o EQ6
o TS1495 (836.5) o EQ157
o TS1560 (1005.8) o EQ167
o TS1743 (850.2) o EQ200
o TS2335 (974.5) o EQ322
o TS2364 (817.0) o EQ328
o TS2365 (882.9) o EQ341
o TS2366 (1002.2) o DDC767
o TS2367 (1059.6) o DDC768
o UDC336 o
[ EQ329 ] Cs ENERGY= 820.4 kJ/mol ( -378.0069992 Hartree)
Energy+ZPE= 809.2 kJ/mol ZPE= 0.0452791
CONNECTIONS:
o TS582 (1082.3) o EQ49
o TS1004 (975.1) o EQ87
o TS2065 (911.6) o EQ272
o TS2368 (965.7) o EQ330
o TS2369 (848.1) o EQ346
o TS2370 (960.8) o EQ358
o TS2371 (966.2) o EQ360
o TS2372 (1195.1) o EQ449
o TS2373 (1239.0) o EQ519
o TS2374 (1205.9) o DDC769
o UDC337 o
[ EQ330 ] Cs ENERGY= 820.6 kJ/mol ( -378.0069279 Hartree)
Energy+ZPE= 809.7 kJ/mol ZPE= 0.0454009
CONNECTIONS:
o TS675 (1042.1) o EQ57
o TS704 (973.1) o EQ60
o TS1244 (886.9) o EQ125
o TS2066 (897.3) o EQ272
o TS2101 (988.0) o EQ280
o TS2137 (925.7) o EQ289
o TS2313 (939.3) o EQ316
o TS2368 (965.7) o EQ329
o TS2375 (860.0) o EQ351
o TS2376 (962.8) o EQ356
o TS2377 (970.9) o EQ358
o TS2378 (982.0) o EQ374
o TS2379 (990.0) o EQ426
o TS2380 (1046.5) o DDC770
o UDC338 o
[ EQ331 ] C1 ENERGY= 821.6 kJ/mol ( -378.0065438 Hartree)
Energy+ZPE= 805.6 kJ/mol ZPE= 0.0434712
CONNECTIONS:
o TS161 (923.3) o EQ11
o TS162 (924.4) o EQ11
o TS1490 (842.8) o EQ156
o TS1491 (845.5) o EQ156
o TS1506 (829.3) o EQ160
o TS1896 (876.4) o EQ234
o TS1999 (934.9) o EQ258
o TS2381 (822.9) o EQ331
o TS2382 (892.3) o EQ334
o TS2383 (1013.4) o EQ371
o TS2384 (1013.6) o EQ371
o TS2385 (938.0) o DDC771
o TS2386 (1280.1) o DDC772
o UDC339 o
[ EQ332 ] C1 ENERGY= 822.9 kJ/mol ( -378.0060607 Hartree)
Energy+ZPE= 804.2 kJ/mol ZPE= 0.0424393
CONNECTIONS:
o TS2244 (824.8) o EQ304
o TS2251 (826.9) o EQ306
[ EQ333 ] C1 ENERGY= 824.0 kJ/mol ( -378.0056446 Hartree)
Energy+ZPE= 806.2 kJ/mol ZPE= 0.0427840
CONNECTIONS:
o TS2387 (839.7) o EQ340
o TS2388 (831.3) o DDC773
o TS2389 (831.7) o DDC774
o TS2390 (844.2) o DDC775
o TS2391 (854.0) o DDC776
o TS2392 (878.5) o DDC777
o UDC340 o
[ EQ334 ] Cs ENERGY= 824.3 kJ/mol ( -378.0055152 Hartree)
Energy+ZPE= 807.6 kJ/mol ZPE= 0.0432029
CONNECTIONS:
o TS163 (918.4) o EQ11
o TS1507 (916.3) o EQ160
o TS1545 (852.4) o EQ165
o TS1874 (873.4) o EQ228
o TS2382 (892.3) o EQ331
o TS2393 (849.4) o EQ342
o TS2394 (894.4) o DDC778
o TS2395 (999.0) o DDC779
o UDC341 o
o UDC342 o
[ EQ335 ] C2 ENERGY= 824.4 kJ/mol ( -378.0054823 Hartree)
Energy+ZPE= 813.8 kJ/mol ZPE= 0.0455181
CONNECTIONS:
o TS2102 (949.5) o EQ280
o TS2396 (982.4) o EQ351
o TS2397 (1019.7) o EQ374
o TS2398 (1109.9) o EQ377
o TS2399 (827.3) o DDC780
o TS2400 (1081.3) o DDC781
o TS2401 (1225.6) o DDC782
[ EQ336 ] C1 ENERGY= 824.4 kJ/mol ( -378.0054747 Hartree)
Energy+ZPE= 811.6 kJ/mol ZPE= 0.0446542
CONNECTIONS:
o TS2341 (849.4) o EQ323
o TS2402 (825.5) o DDC783
o TS2403 (827.3) o DDC784
o TS2404 (831.0) o DDC785
o TS2405 (833.2) o DDC786
o UDC343 o
[ EQ337 ] Cs ENERGY= 825.7 kJ/mol ( -378.0049841 Hartree)
Energy+ZPE= 806.9 kJ/mol ZPE= 0.0423877
CONNECTIONS:
o TS2406 (831.6) o DDC787
o TS2407 (855.1) o DDC788
o UDC344 o
[ EQ338 ] C1 ENERGY= 826.8 kJ/mol ( -378.0045830 Hartree)
Energy+ZPE= 816.9 kJ/mol ZPE= 0.0457905
CONNECTIONS:
o TS899 (975.8) o EQ76
o TS1411 (847.9) o EQ144
o TS2347 (828.2) o EQ324
o TS2408 (858.9) o EQ344
o TS2409 (885.4) o DDC789
o TS2410 (960.9) o DDC790
o UDC345 o
o UDC346 o
[ EQ339 ] C1 ENERGY= 826.8 kJ/mol ( -378.0045549 Hartree)
Energy+ZPE= 812.2 kJ/mol ZPE= 0.0439801
CONNECTIONS:
o TS1281 (835.4) o EQ129
o TS1401 (846.6) o EQ142
o TS2090 (965.3) o EQ277
o TS2091 (965.4) o EQ277
o TS2353 (936.6) o EQ325
o TS2411 (827.2) o EQ339
o TS2412 (1030.4) o EQ418
o TS2413 (1314.3) o EQ516
o TS2414 (1306.8) o EQ559
o TS2415 (1313.8) o EQ563
o TS2416 (838.6) o DDC791
o TS2417 (841.5) o DDC792
[ EQ340 ] C2 ENERGY= 829.7 kJ/mol ( -378.0034611 Hartree)
Energy+ZPE= 817.1 kJ/mol ZPE= 0.0447664
CONNECTIONS:
o TS2387 (839.7) o EQ333
o TS2418 (858.4) o EQ340
o TS2419 (1065.4) o EQ427
o TS2420 (1027.6) o EQ440
o TS2421 (1103.1) o EQ440
o TS2422 (1045.7) o EQ442
o TS2423 (1059.4) o EQ442
o TS2424 (1028.1) o EQ448
o UDC347 o
[ EQ341 ] C1 ENERGY= 833.5 kJ/mol ( -378.0020346 Hartree)
Energy+ZPE= 815.9 kJ/mol ZPE= 0.0428567
CONNECTIONS:
o TS104 (837.6) o EQ6
o TS1535 (1017.9) o EQ164
o TS2365 (882.9) o EQ328
o TS2425 (996.7) o EQ348
o TS2426 (858.2) o EQ350
o TS2427 (1071.1) o EQ487
o TS2428 (1350.7) o EQ561
o TS2429 (1346.9) o EQ569
o TS2430 (934.6) o DDC793
o TS2431 (1071.2) o DDC794
o UDC348 o
[ EQ342 ] Cs ENERGY= 835.5 kJ/mol ( -378.0012538 Hartree)
Energy+ZPE= 817.3 kJ/mol ZPE= 0.0426082
CONNECTIONS:
o TS1474 (850.9) o EQ154
o TS1508 (922.5) o EQ160
o TS2013 (901.3) o EQ262
o TS2393 (849.4) o EQ334
o TS2432 (946.2) o EQ350
o TS2433 (906.0) o DDC795
o TS2434 (917.2) o DDC796
o TS2435 (1280.6) o DDC797
o UDC349 o
[ EQ343 ] C1 ENERGY= 835.5 kJ/mol ( -378.0012446 Hartree)
Energy+ZPE= 817.2 kJ/mol ZPE= 0.0425911
CONNECTIONS:
o TS583 (868.5) o EQ49
o TS2196 (961.3) o EQ301
o TS2197 (998.1) o EQ301
o TS2314 (997.7) o EQ316
o TS2436 (836.4) o EQ343
o TS2437 (865.8) o EQ343
o TS2438 (872.8) o EQ343
o TS2439 (914.4) o EQ375
o TS2440 (995.6) o EQ386
o TS2441 (998.5) o EQ392
o TS2442 (1001.9) o EQ420
o TS2443 (1043.6) o EQ458
o TS2444 (1046.7) o EQ464
o TS2445 (1048.7) o EQ466
o TS2446 (1059.7) o EQ468
o TS2447 (1051.7) o EQ474
o TS2448 (1066.2) o EQ485
o TS2449 (1207.4) o EQ512
o TS2450 (1323.6) o EQ520
o TS2451 (1197.3) o EQ532
o TS2452 (849.7) o DDC798
o TS2453 (850.0) o DDC799
o TS2454 (1068.0) o DDC800
o UDC350 o
[ EQ344 ] C1 ENERGY= 837.7 kJ/mol ( -378.0004315 Hartree)
Energy+ZPE= 827.2 kJ/mol ZPE= 0.0455358
CONNECTIONS:
o TS1354 (854.0) o EQ136
o TS2348 (855.5) o EQ324
o TS2408 (858.9) o EQ338
o TS2455 (861.1) o EQ344
o TS2456 (839.9) o DDC801
o TS2457 (927.9) o DDC802
o UDC351 o
o UDC352 o
[ EQ345 ] C1 ENERGY= 838.0 kJ/mol ( -378.0003029 Hartree)
Energy+ZPE= 822.8 kJ/mol ZPE= 0.0437587
CONNECTIONS:
o TS1337 (849.3) o EQ134
o TS2458 (937.8) o EQ396
o TS2459 (839.9) o DDC803
o TS2460 (841.9) o DDC804
o TS2461 (842.3) o DDC805
o TS2462 (951.0) o DDC806
[ EQ346 ] Cs ENERGY= 838.6 kJ/mol ( -378.0000741 Hartree)
Energy+ZPE= 827.0 kJ/mol ZPE= 0.0451119
CONNECTIONS:
o TS1044 (996.3) o EQ94
o TS2138 (925.5) o EQ289
o TS2369 (848.1) o EQ329
o TS2463 (983.3) o EQ351
o TS2464 (991.6) o EQ370
o TS2465 (998.9) o EQ374
o TS2466 (972.7) o EQ377
o UDC353 o
o UDC354 o
o UDC355 o
[ EQ347 ] Cs ENERGY= 839.6 kJ/mol ( -377.9996811 Hartree)
Energy+ZPE= 817.1 kJ/mol ZPE= 0.0409650
CONNECTIONS:
o TS875 (846.1) o EQ74
o TS2181 (897.9) o EQ297
o TS2467 (881.9) o DDC807
o TS2468 (900.5) o DDC808
[ EQ348 ] C1 ENERGY= 844.6 kJ/mol ( -377.9977872 Hartree)
Energy+ZPE= 828.1 kJ/mol ZPE= 0.0432569
CONNECTIONS:
o TS885 (931.6) o EQ75
o TS912 (930.8) o EQ78
o TS1536 (993.4) o EQ164
o TS2425 (996.7) o EQ341
o TS2469 (859.2) o EQ348
o TS2470 (847.5) o EQ349
o TS2471 (846.1) o DDC809
o TS2472 (885.0) o DDC810
o TS2473 (896.4) o DDC811
o TS2474 (904.0) o DDC812
o TS2475 (955.6) o DDC813
o TS2476 (1033.6) o DDC814
[ EQ349 ] Cs ENERGY= 845.8 kJ/mol ( -377.9973456 Hartree)
Energy+ZPE= 830.0 kJ/mol ZPE= 0.0435437
CONNECTIONS:
o TS2470 (847.5) o EQ348
o TS2477 (948.6) o DDC815
o UDC356 o
[ EQ350 ] Cs ENERGY= 848.6 kJ/mol ( -377.9962595 Hartree)
Energy+ZPE= 828.5 kJ/mol ZPE= 0.0418804
CONNECTIONS:
o TS164 (852.9) o EQ11
o TS1496 (903.7) o EQ157
o TS2014 (881.5) o EQ262
o TS2426 (858.2) o EQ341
o TS2432 (946.2) o EQ342
o TS2478 (1012.9) o EQ353
o TS2479 (1346.4) o EQ569
o TS2480 (919.3) o DDC816
o TS2481 (1062.8) o DDC817
o UDC357 o
[ EQ351 ] Cs ENERGY= 850.7 kJ/mol ( -377.9954822 Hartree)
Energy+ZPE= 840.0 kJ/mol ZPE= 0.0454727
CONNECTIONS:
o TS334 (987.0) o EQ33
o TS2139 (947.9) o EQ289
o TS2375 (860.0) o EQ330
o TS2396 (982.4) o EQ335
o TS2463 (983.3) o EQ346
o TS2482 (1273.0) o EQ523
o UDC358 o
o UDC359 o
o UDC360 o
[ EQ352 ] C2 ENERGY= 858.5 kJ/mol ( -377.9924842 Hartree)
Energy+ZPE= 834.5 kJ/mol ZPE= 0.0404033
CONNECTIONS:
o TS1152 (918.6) o EQ111
o TS1180 (923.5) o EQ114
o TS1912 (901.1) o EQ241
o TS2483 (873.1) o EQ352
o TS2484 (906.9) o EQ352
o TS2485 (907.2) o EQ352
o TS2486 (942.4) o EQ352
o TS2487 (1043.1) o EQ373
o TS2488 (1037.3) o EQ386
o TS2489 (1034.1) o EQ405
o TS2490 (1069.9) o EQ460
o TS2491 (1081.5) o EQ460
o TS2492 (1071.6) o EQ462
o TS2493 (1154.2) o EQ510
o TS2494 (1162.2) o EQ510
o TS2495 (1169.1) o EQ510
o TS2496 (1169.7) o EQ510
o TS2497 (1154.5) o EQ511
o TS2498 (1156.4) o EQ511
o TS2499 (1167.6) o EQ511
o TS2500 (894.0) o DDC818
o TS2501 (900.0) o DDC819
o TS2502 (1260.7) o DDC820
o UDC361 o
[ EQ353 ] Cs ENERGY= 862.5 kJ/mol ( -377.9909708 Hartree)
Energy+ZPE= 842.2 kJ/mol ZPE= 0.0418293
CONNECTIONS:
o TS1066 (919.6) o EQ98
o TS2478 (1012.9) o EQ350
o TS2503 (865.1) o DDC821
o TS2504 (888.7) o DDC822
[ EQ354 ] C1 ENERGY= 870.6 kJ/mol ( -377.9878783 Hartree)
Energy+ZPE= 853.8 kJ/mol ZPE= 0.0431474
CONNECTIONS:
o TS2505 (879.4) o EQ359
o TS2506 (905.8) o EQ362
o TS2507 (899.0) o EQ364
o TS2508 (907.9) o EQ364
o TS2509 (899.6) o EQ368
o TS2510 (1124.9) o EQ383
o TS2511 (1198.3) o EQ498
o TS2512 (1195.3) o EQ515
o TS2513 (875.4) o DDC823
o TS2514 (876.0) o DDC824
o TS2515 (1068.5) o DDC825
[ EQ355 ] C1 ENERGY= 871.4 kJ/mol ( -377.9875947 Hartree)
Energy+ZPE= 854.5 kJ/mol ZPE= 0.0431138
CONNECTIONS:
o TS2516 (901.2) o EQ359
o TS2517 (905.7) o EQ359
o TS2518 (879.6) o EQ362
o TS2519 (899.0) o EQ363
o TS2520 (906.2) o EQ363
o TS2521 (1126.9) o EQ382
o TS2522 (1156.6) o EQ498
o TS2523 (874.5) o DDC826
o TS2524 (1068.4) o DDC827
[ EQ356 ] C2h ENERGY= 872.1 kJ/mol ( -377.9873037 Hartree)
Energy+ZPE= 861.2 kJ/mol ZPE= 0.0453874
CONNECTIONS:
o TS2103 (922.0) o EQ280
o TS2376 (962.8) o EQ330
o TS2525 (1037.2) o EQ358
o TS2526 (1107.4) o EQ360
o TS2527 (998.0) o EQ405
[ EQ357 ] C1 ENERGY= 874.2 kJ/mol ( -377.9865345 Hartree)
Energy+ZPE= 858.3 kJ/mol ZPE= 0.0434799
CONNECTIONS:
o TS750 (938.6) o EQ64
o TS757 (1141.7) o EQ65
o TS2528 (911.3) o EQ359
o TS2529 (914.2) o EQ359
o TS2530 (904.4) o EQ363
o TS2531 (914.2) o EQ363
o TS2532 (891.4) o EQ364
o TS2533 (875.6) o DDC828
[ EQ358 ] Cs ENERGY= 875.2 kJ/mol ( -377.9861543 Hartree)
Energy+ZPE= 863.8 kJ/mol ZPE= 0.0452134
CONNECTIONS:
o TS2198 (1018.0) o EQ301
o TS2199 (1057.4) o EQ301
o TS2370 (960.8) o EQ329
o TS2377 (970.9) o EQ330
o TS2525 (1037.2) o EQ356
o TS2534 (1102.2) o EQ358
o TS2535 (1037.2) o EQ360
o TS2536 (955.0) o EQ374
o TS2537 (1002.3) o EQ400
o TS2538 (1023.5) o EQ426
o TS2539 (997.7) o EQ441
o TS2540 (1264.3) o EQ532
o TS2541 (1292.6) o EQ535
o TS2542 (1406.9) o EQ573
o TS2543 (1277.2) o DDC829
o TS2544 (1292.4) o DDC830
o TS2545 (1309.3) o DDC831
o UDC362 o
o UDC363 o
[ EQ359 ] C1 ENERGY= 877.1 kJ/mol ( -377.9854289 Hartree)
Energy+ZPE= 859.7 kJ/mol ZPE= 0.0429028
CONNECTIONS:
o TS1373 (1104.5) o EQ139
o TS2505 (879.4) o EQ354
o TS2516 (901.2) o EQ355
o TS2517 (905.7) o EQ355
o TS2528 (911.3) o EQ357
o TS2529 (914.2) o EQ357
o TS2546 (1118.6) o EQ376
o TS2547 (879.8) o DDC832
[ EQ360 ] C2h ENERGY= 877.3 kJ/mol ( -377.9853254 Hartree)
Energy+ZPE= 865.3 kJ/mol ZPE= 0.0449925
CONNECTIONS:
o TS2371 (966.2) o EQ329
o TS2526 (1107.4) o EQ356
o TS2535 (1037.2) o EQ358
o TS2548 (955.0) o EQ377
o TS2549 (1043.9) o EQ407
o TS2550 (1262.6) o EQ530
o TS2551 (1356.5) o EQ548
o TS2552 (1289.4) o DDC833
o UDC364 o
o UDC365 o
o UDC366 o
[ EQ361 ] C1 ENERGY= 878.7 kJ/mol ( -377.9848127 Hartree)
Energy+ZPE= 864.7 kJ/mol ZPE= 0.0442021
CONNECTIONS:
o TS1023 (1018.7) o EQ90
o TS2104 (980.8) o EQ280
o TS2200 (1003.1) o EQ301
o TS2553 (985.5) o EQ405
o TS2554 (1340.3) o EQ419
o TS2555 (880.1) o DDC834
o UDC367 o
[ EQ362 ] C1 ENERGY= 878.9 kJ/mol ( -377.9847223 Hartree)
Energy+ZPE= 860.3 kJ/mol ZPE= 0.0424638
CONNECTIONS:
o TS2506 (905.8) o EQ354
o TS2518 (879.6) o EQ355
o TS2556 (909.8) o EQ365
o TS2557 (883.3) o EQ368
o TS2558 (879.3) o DDC835
o TS2559 (883.4) o DDC836
[ EQ363 ] C1 ENERGY= 879.0 kJ/mol ( -377.9846851 Hartree)
Energy+ZPE= 862.4 kJ/mol ZPE= 0.0432194
CONNECTIONS:
o TS683 (1143.2) o EQ58
o TS705 (936.1) o EQ60
o TS2519 (899.0) o EQ355
o TS2520 (906.2) o EQ355
o TS2530 (904.4) o EQ357
o TS2531 (914.2) o EQ357
o TS2560 (889.1) o EQ369
o TS2561 (1211.3) o EQ503
o TS2562 (1195.0) o EQ528
o TS2563 (885.7) o DDC837
o TS2564 (1067.9) o DDC838
o TS2565 (1169.1) o DDC839
[ EQ364 ] C1 ENERGY= 882.0 kJ/mol ( -377.9835308 Hartree)
Energy+ZPE= 864.8 kJ/mol ZPE= 0.0429978
CONNECTIONS:
o TS729 (1079.2) o EQ62
o TS2507 (899.0) o EQ354
o TS2508 (907.9) o EQ354
o TS2532 (891.4) o EQ357
o TS2566 (908.0) o EQ365
o TS2567 (1159.7) o EQ503
o TS2568 (1212.3) o EQ504
o TS2569 (1199.5) o EQ514
o TS2570 (887.0) o DDC840
o TS2571 (1070.3) o DDC841
o TS2572 (1128.0) o DDC842
[ EQ365 ] C1 ENERGY= 882.1 kJ/mol ( -377.9835020 Hartree)
Energy+ZPE= 865.6 kJ/mol ZPE= 0.0432796
CONNECTIONS:
o TS2556 (909.8) o EQ362
o TS2566 (908.0) o EQ364
o TS2573 (885.1) o EQ369
o TS2574 (1204.9) o EQ521
o TS2575 (889.9) o DDC843
o TS2576 (1067.1) o DDC844
o TS2577 (1205.0) o DDC845
[ EQ366 ] C1 ENERGY= 882.2 kJ/mol ( -377.9834654 Hartree)
Energy+ZPE= 864.3 kJ/mol ZPE= 0.0427292
CONNECTIONS:
o TS1526 (882.9) o EQ163
o TS1537 (909.4) o EQ164
o TS2578 (886.0) o EQ366
o TS2579 (921.3) o EQ387
o TS2580 (925.3) o DDC846
o TS2581 (953.8) o DDC847
o UDC368 o
o UDC369 o
[ EQ367 ] C1 ENERGY= 882.6 kJ/mol ( -377.9833232 Hartree)
Energy+ZPE= 862.7 kJ/mol ZPE= 0.0419684
CONNECTIONS:
o TS706 (882.7) o EQ60
o TS833 (883.7) o EQ72
o TS2582 (883.6) o DDC848
[ EQ368 ] C1 ENERGY= 883.3 kJ/mol ( -377.9830480 Hartree)
Energy+ZPE= 865.5 kJ/mol ZPE= 0.0427668
CONNECTIONS:
o TS2509 (899.6) o EQ354
o TS2557 (883.3) o EQ362
[ EQ369 ] C1 ENERGY= 884.7 kJ/mol ( -377.9825007 Hartree)
Energy+ZPE= 867.0 kJ/mol ZPE= 0.0428066
CONNECTIONS:
o TS2560 (889.1) o EQ363
o TS2573 (885.1) o EQ365
o TS2583 (1133.6) o EQ483
o TS2584 (887.5) o DDC849
o TS2585 (910.5) o DDC850
[ EQ370 ] C1 ENERGY= 884.9 kJ/mol ( -377.9824409 Hartree)
Energy+ZPE= 869.2 kJ/mol ZPE= 0.0435697
CONNECTIONS:
o TS376 (982.4) o EQ38
o TS2201 (1041.7) o EQ301
o TS2268 (1023.0) o EQ308
o TS2464 (991.6) o EQ346
o TS2586 (888.4) o EQ372
o TS2587 (895.2) o EQ375
o TS2588 (897.6) o EQ375
o TS2589 (1035.4) o EQ407
o TS2590 (1050.4) o EQ421
o TS2591 (1065.3) o EQ458
o TS2592 (1058.0) o EQ466
[ EQ371 ] C1 ENERGY= 885.1 kJ/mol ( -377.9823809 Hartree)
Energy+ZPE= 867.2 kJ/mol ZPE= 0.0427319
CONNECTIONS:
o TS1554 (885.4) o EQ166
o TS1561 (907.4) o EQ167
o TS2383 (1013.4) o EQ331
o TS2384 (1013.6) o EQ331
o TS2593 (890.0) o EQ371
o TS2594 (893.5) o DDC851
o TS2595 (894.1) o DDC852
o TS2596 (969.1) o DDC853
o UDC370 o
o UDC371 o
o UDC372 o
[ EQ372 ] Cs ENERGY= 885.4 kJ/mol ( -377.9822665 Hartree)
Energy+ZPE= 869.9 kJ/mol ZPE= 0.0436525
CONNECTIONS:
o TS395 (1046.5) o EQ39
o TS2202 (1003.6) o EQ301
o TS2586 (888.4) o EQ370
o TS2597 (1052.6) o EQ464
[ EQ373 ] C1 ENERGY= 885.5 kJ/mol ( -377.9821959 Hartree)
Energy+ZPE= 871.3 kJ/mol ZPE= 0.0441223
CONNECTIONS:
o TS2203 (995.7) o EQ301
o TS2487 (1043.1) o EQ352
o TS2598 (889.9) o EQ378
o TS2599 (987.2) o EQ409
o TS2600 (891.1) o DDC854
o TS2601 (891.6) o DDC855
o TS2602 (1119.7) o DDC856
o UDC373 o
[ EQ374 ] Cs ENERGY= 887.0 kJ/mol ( -377.9816503 Hartree)
Energy+ZPE= 876.0 kJ/mol ZPE= 0.0453544
CONNECTIONS:
o TS2378 (982.0) o EQ330
o TS2397 (1019.7) o EQ335
o TS2465 (998.9) o EQ346
o TS2536 (955.0) o EQ358
o TS2603 (1043.4) o EQ374
o TS2604 (1056.8) o EQ421
o TS2605 (1103.1) o EQ444
o TS2606 (1225.4) o EQ508
o TS2607 (1304.3) o EQ542
o TS2608 (1355.1) o EQ542
o TS2609 (1420.7) o EQ573
o TS2610 (1033.2) o DDC857
o TS2611 (1252.7) o DDC858
o TS2612 (1278.6) o DDC859
o UDC374 o
o UDC375 o
o UDC376 o
o UDC377 o
[ EQ375 ] C1 ENERGY= 887.5 kJ/mol ( -377.9814374 Hartree)
Energy+ZPE= 869.4 kJ/mol ZPE= 0.0426572
CONNECTIONS:
o TS377 (979.9) o EQ38
o TS396 (1048.8) o EQ39
o TS584 (916.5) o EQ49
o TS2204 (1005.4) o EQ301
o TS2439 (914.4) o EQ343
o TS2587 (895.2) o EQ370
o TS2588 (897.6) o EQ370
o TS2613 (1044.6) o EQ417
o TS2614 (1065.3) o EQ458
o TS2615 (1075.8) o EQ485
o TS2616 (1230.8) o EQ520
o TS2617 (1241.7) o EQ533
o UDC378 o
[ EQ376 ] C1 ENERGY= 888.4 kJ/mol ( -377.9811060 Hartree)
Energy+ZPE= 869.3 kJ/mol ZPE= 0.0422847
CONNECTIONS:
o TS1625 (912.8) o EQ179
o TS1645 (910.2) o EQ182
o TS2546 (1118.6) o EQ359
o TS2618 (937.0) o EQ379
o TS2619 (945.6) o EQ379
o TS2620 (950.3) o EQ379
o TS2621 (925.7) o EQ382
o TS2622 (934.3) o EQ382
o TS2623 (907.2) o EQ383
o TS2624 (930.3) o EQ383
o TS2625 (1170.5) o EQ482
o TS2626 (1186.2) o EQ505
o TS2627 (919.5) o DDC860
o TS2628 (950.8) o DDC861
o UDC379 o
[ EQ377 ] C2v ENERGY= 888.8 kJ/mol ( -377.9809424 Hartree)
Energy+ZPE= 877.0 kJ/mol ZPE= 0.0450464
CONNECTIONS:
o TS2398 (1109.9) o EQ335
o TS2466 (972.7) o EQ346
o TS2548 (955.0) o EQ360
o TS2629 (1054.8) o EQ415
o TS2630 (1363.0) o EQ562
o TS2631 (1370.1) o EQ562
o TS2632 (1255.7) o DDC862
o UDC380 o
o UDC381 o
o UDC382 o
[ EQ378 ] C1 ENERGY= 889.4 kJ/mol ( -377.9807190 Hartree)
Energy+ZPE= 874.8 kJ/mol ZPE= 0.0439961
CONNECTIONS:
o TS2205 (999.2) o EQ301
o TS2598 (889.9) o EQ373
o TS2633 (892.8) o DDC863
[ EQ379 ] C1 ENERGY= 889.5 kJ/mol ( -377.9806936 Hartree)
Energy+ZPE= 870.0 kJ/mol ZPE= 0.0421093
CONNECTIONS:
o TS1626 (920.6) o EQ179
o TS1646 (904.8) o EQ182
o TS2618 (937.0) o EQ376
o TS2619 (945.6) o EQ376
o TS2620 (950.3) o EQ376
o TS2634 (908.4) o EQ382
o TS2635 (925.3) o EQ383
o TS2636 (937.0) o EQ383
o TS2637 (1160.3) o EQ473
o TS2638 (913.8) o DDC864
o TS2639 (951.7) o DDC865
o TS2640 (1122.7) o DDC866
o UDC383 o
[ EQ380 ] C1 ENERGY= 891.2 kJ/mol ( -377.9800455 Hartree)
Energy+ZPE= 870.8 kJ/mol ZPE= 0.0417775
CONNECTIONS:
o TS2641 (893.0) o DDC867
o TS2642 (899.8) o DDC868
[ EQ381 ] C1 ENERGY= 896.9 kJ/mol ( -377.9778811 Hartree)
Energy+ZPE= 875.5 kJ/mol ZPE= 0.0414116
CONNECTIONS:
o TS2643 (897.3) o DDC869
o TS2644 (899.2) o DDC870
[ EQ382 ] C1 ENERGY= 898.2 kJ/mol ( -377.9773893 Hartree)
Energy+ZPE= 877.9 kJ/mol ZPE= 0.0418122
CONNECTIONS:
o TS378 (1112.8) o EQ38
o TS1654 (918.0) o EQ184
o TS2521 (1126.9) o EQ355
o TS2621 (925.7) o EQ376
o TS2622 (934.3) o EQ376
o TS2634 (908.4) o EQ379
o TS2645 (947.9) o EQ383
o TS2646 (963.6) o EQ383
o TS2647 (924.7) o DDC871
o UDC384 o
[ EQ383 ] C1 ENERGY= 899.0 kJ/mol ( -377.9770555 Hartree)
Energy+ZPE= 878.7 kJ/mol ZPE= 0.0418051
CONNECTIONS:
o TS1627 (920.5) o EQ179
o TS1655 (922.3) o EQ184
o TS2510 (1124.9) o EQ354
o TS2623 (907.2) o EQ376
o TS2624 (930.3) o EQ376
o TS2635 (925.3) o EQ379
o TS2636 (937.0) o EQ379
o TS2645 (947.9) o EQ382
o TS2646 (963.6) o EQ382
o TS2648 (925.1) o DDC872
[ EQ384 ] C1 ENERGY= 906.7 kJ/mol ( -377.9741339 Hartree)
Energy+ZPE= 885.8 kJ/mol ZPE= 0.0415807
CONNECTIONS:
o TS457 (914.3) o EQ43
o TS1647 (934.8) o EQ182
o TS2649 (907.5) o DDC873
o TS2650 (912.2) o DDC874
[ EQ385 ] C1 ENERGY= 907.9 kJ/mol ( -377.9736841 Hartree)
Energy+ZPE= 891.6 kJ/mol ZPE= 0.0433314
CONNECTIONS:
o TS1628 (967.9) o EQ179
o TS2206 (913.4) o EQ301
o TS2651 (962.1) o EQ385
o TS2652 (1252.9) o EQ392
o TS2653 (927.8) o EQ394
o TS2654 (954.5) o DDC875
o TS2655 (1056.8) o DDC876
o TS2656 (1137.1) o DDC877
o TS2657 (1197.9) o DDC878
[ EQ386 ] C1 ENERGY= 911.7 kJ/mol ( -377.9722192 Hartree)
Energy+ZPE= 892.2 kJ/mol ZPE= 0.0421262
CONNECTIONS:
o TS1011 (938.9) o EQ88
o TS2440 (995.6) o EQ343
o TS2488 (1037.3) o EQ352
o TS2658 (1277.9) o EQ386
o TS2659 (932.7) o EQ392
o TS2660 (1195.1) o EQ458
o TS2661 (1193.5) o EQ468
o TS2662 (1146.0) o EQ509
o TS2663 (1493.2) o EQ530
o TS2664 (1230.2) o EQ535
o TS2665 (1258.0) o EQ535
o TS2666 (1288.1) o EQ548
o TS2667 (1297.8) o EQ548
o TS2668 (950.7) o DDC879
o TS2669 (1323.9) o DDC880
[ EQ387 ] C1 ENERGY= 917.0 kJ/mol ( -377.9702105 Hartree)
Energy+ZPE= 896.0 kJ/mol ZPE= 0.0415594
CONNECTIONS:
o TS1527 (917.3) o EQ163
o TS1590 (917.2) o EQ173
o TS2579 (921.3) o EQ366
[ EQ388 ] C1 ENERGY= 917.4 kJ/mol ( -377.9700604 Hartree)
Energy+ZPE= 906.2 kJ/mol ZPE= 0.0452934
CONNECTIONS:
o TS585 (959.0) o EQ49
o TS1629 (974.8) o EQ179
o TS1854 (1034.3) o EQ222
o TS2186 (1004.9) o EQ298
o TS2670 (942.4) o EQ388
o TS2671 (1045.1) o EQ389
o TS2672 (953.5) o EQ408
o TS2673 (995.2) o DDC881
o TS2674 (1025.6) o DDC882
o TS2675 (1049.6) o DDC883
[ EQ389 ] C1 ENERGY= 920.7 kJ/mol ( -377.9688110 Hartree)
Energy+ZPE= 909.5 kJ/mol ZPE= 0.0452718
CONNECTIONS:
o TS541 (958.9) o EQ47
o TS707 (1020.4) o EQ60
o TS1754 (1010.1) o EQ202
o TS2171 (984.7) o EQ295
o TS2671 (1045.1) o EQ388
o TS2676 (935.3) o EQ389
o TS2677 (949.9) o EQ389
o TS2678 (1055.6) o EQ408
o TS2679 (1022.3) o DDC884
o TS2680 (1036.9) o DDC885
o TS2681 (1053.2) o DDC886
o UDC385 o
[ EQ390 ] C1 ENERGY= 921.3 kJ/mol ( -377.9685934 Hartree)
Energy+ZPE= 906.6 kJ/mol ZPE= 0.0439441
CONNECTIONS:
o TS1733 (936.1) o EQ198
o TS1856 (1015.6) o EQ223
o TS2682 (954.1) o EQ391
o TS2683 (921.7) o DDC887
o TS2684 (928.2) o DDC888
o TS2685 (933.1) o DDC889
o TS2686 (963.8) o DDC890
[ EQ391 ] C1 ENERGY= 922.2 kJ/mol ( -377.9682288 Hartree)
Energy+ZPE= 906.7 kJ/mol ZPE= 0.0436377
CONNECTIONS:
o TS684 (1014.0) o EQ58
o TS1756 (942.7) o EQ203
o TS1901 (1012.8) o EQ236
o TS2258 (965.9) o EQ307
o TS2682 (954.1) o EQ390
o TS2687 (923.6) o DDC891
o TS2688 (927.8) o DDC892
o TS2689 (928.7) o DDC893
o TS2690 (951.6) o DDC894
[ EQ392 ] C1 ENERGY= 925.7 kJ/mol ( -377.9668965 Hartree)
Energy+ZPE= 906.4 kJ/mol ZPE= 0.0422100
CONNECTIONS:
o TS780 (1159.4) o EQ68
o TS2207 (1072.7) o EQ301
o TS2441 (998.5) o EQ343
o TS2652 (1252.9) o EQ385
o TS2659 (932.7) o EQ386
o TS2691 (929.9) o EQ392
o TS2692 (1264.9) o EQ509
o TS2693 (1198.4) o EQ530
o TS2694 (1456.4) o EQ530
o TS2695 (1271.8) o EQ542
o TS2696 (1278.3) o EQ542
o TS2697 (1071.3) o DDC895
o TS2698 (1075.4) o DDC896
o TS2699 (1330.5) o DDC897
[ EQ393 ] Cs ENERGY= 926.5 kJ/mol ( -377.9666150 Hartree)
Energy+ZPE= 913.9 kJ/mol ZPE= 0.0447317
CONNECTIONS:
o TS978 (968.2) o EQ84
o TS1482 (1361.4) o EQ155
o TS2121 (1099.1) o EQ285
o TS2700 (948.4) o EQ399
o TS2701 (1039.3) o EQ401
o TS2702 (1004.3) o DDC898
o TS2703 (1013.5) o DDC899
o TS2704 (1022.5) o DDC900
o TS2705 (1104.0) o DDC901
[ EQ394 ] C1 ENERGY= 927.8 kJ/mol ( -377.9661087 Hartree)
Energy+ZPE= 908.9 kJ/mol ZPE= 0.0423528
CONNECTIONS:
o TS708 (1308.5) o EQ60
o TS2269 (992.6) o EQ308
o TS2653 (927.8) o EQ385
o TS2706 (951.1) o EQ400
o TS2707 (968.1) o EQ420
o TS2708 (1053.1) o DDC902
[ EQ395 ] C2v ENERGY= 931.9 kJ/mol ( -377.9645213 Hartree)
Energy+ZPE= 917.5 kJ/mol ZPE= 0.0440572
CONNECTIONS:
o TS2159 (1082.4) o EQ293
o TS2709 (1077.6) o EQ403
o TS2710 (964.5) o DDC903
o TS2711 (1001.4) o DDC904
o UDC386 o
[ EQ396 ] C1 ENERGY= 932.6 kJ/mol ( -377.9642904 Hartree)
Energy+ZPE= 915.2 kJ/mol ZPE= 0.0429263
CONNECTIONS:
o TS2458 (937.8) o EQ345
o TS2712 (942.4) o EQ396
o TS2713 (968.2) o EQ396
o TS2714 (969.1) o EQ396
o TS2715 (1110.3) o EQ494
o TS2716 (1111.7) o EQ494
o TS2717 (955.1) o DDC905
o TS2718 (975.0) o DDC906
o TS2719 (1000.2) o DDC907
o UDC387 o
[ EQ397 ] C1 ENERGY= 938.3 kJ/mol ( -377.9620891 Hartree)
Energy+ZPE= 920.8 kJ/mol ZPE= 0.0428817
CONNECTIONS:
o TS2305 (938.4) o EQ313
o TS2720 (972.6) o EQ402
[ EQ398 ] Cs ENERGY= 943.6 kJ/mol ( -377.9600981 Hartree)
Energy+ZPE= 926.6 kJ/mol ZPE= 0.0430845
CONNECTIONS:
o TS1709 (997.6) o EQ195
o TS1739 (1040.9) o EQ199
o TS1980 (977.0) o EQ253
o TS2354 (1030.8) o EQ325
o TS2721 (1036.2) o EQ403
o TS2722 (973.8) o DDC908
o TS2723 (981.2) o DDC909
o UDC388 o
[ EQ399 ] Cs ENERGY= 944.8 kJ/mol ( -377.9596434 Hartree)
Energy+ZPE= 931.4 kJ/mol ZPE= 0.0444602
CONNECTIONS:
o TS293 (1070.4) o EQ31
o TS2700 (948.4) o EQ393
o TS2724 (1027.4) o EQ404
o TS2725 (1012.9) o DDC910
o UDC389 o
[ EQ400 ] C1 ENERGY= 947.2 kJ/mol ( -377.9587224 Hartree)
Energy+ZPE= 930.3 kJ/mol ZPE= 0.0431181
CONNECTIONS:
o TS2208 (1136.3) o EQ301
o TS2315 (1001.9) o EQ316
o TS2537 (1002.3) o EQ358
o TS2706 (951.1) o EQ394
o TS2726 (951.6) o EQ405
o TS2727 (978.2) o EQ405
o TS2728 (966.4) o EQ410
o TS2729 (963.8) o EQ411
o TS2730 (1197.5) o EQ447
o TS2731 (1192.1) o EQ520
o TS2732 (1340.3) o EQ535
o TS2733 (1094.0) o DDC911
o UDC390 o
o UDC391 o
[ EQ401 ] Cs ENERGY= 948.0 kJ/mol ( -377.9584007 Hartree)
Energy+ZPE= 933.4 kJ/mol ZPE= 0.0440034
CONNECTIONS:
o TS2701 (1039.3) o EQ393
o TS2734 (954.3) o EQ404
o TS2735 (1364.8) o EQ574
o TS2736 (1005.5) o DDC912
o TS2737 (1124.5) o DDC913
[ EQ402 ] C1 ENERGY= 948.6 kJ/mol ( -377.9581905 Hartree)
Energy+ZPE= 931.7 kJ/mol ZPE= 0.0431186
CONNECTIONS:
o TS2259 (950.9) o EQ307
o TS2720 (972.6) o EQ397
[ EQ403 ] Cs ENERGY= 948.8 kJ/mol ( -377.9581007 Hartree)
Energy+ZPE= 933.7 kJ/mol ZPE= 0.0437774
CONNECTIONS:
o TS1724 (1002.0) o EQ197
o TS1725 (1024.4) o EQ197
o TS1772 (1044.8) o EQ207
o TS1993 (980.5) o EQ256
o TS2182 (1102.1) o EQ297
o TS2709 (1077.6) o EQ395
o TS2721 (1036.2) o EQ398
o TS2738 (974.0) o EQ418
o TS2739 (973.9) o DDC914
o TS2740 (1068.1) o DDC915
o TS2741 (1069.4) o DDC916
o UDC392 o
[ EQ404 ] Cs ENERGY= 948.8 kJ/mol ( -377.9580930 Hartree)
Energy+ZPE= 934.7 kJ/mol ZPE= 0.0441808
CONNECTIONS:
o TS1045 (1055.9) o EQ94
o TS2724 (1027.4) o EQ399
o TS2734 (954.3) o EQ401
o TS2742 (977.9) o DDC917
o TS2743 (998.0) o DDC918
o TS2744 (1007.3) o DDC919
[ EQ405 ] C1 ENERGY= 949.5 kJ/mol ( -377.9578208 Hartree)
Energy+ZPE= 932.4 kJ/mol ZPE= 0.0430473
CONNECTIONS:
o TS397 (1067.5) o EQ39
o TS2270 (1004.3) o EQ308
o TS2271 (1005.0) o EQ308
o TS2489 (1034.1) o EQ352
o TS2527 (998.0) o EQ356
o TS2553 (985.5) o EQ361
o TS2726 (951.6) o EQ400
o TS2727 (978.2) o EQ400
o TS2745 (965.8) o EQ409
o TS2746 (1265.1) o EQ454
o TS2747 (1159.1) o EQ518
o TS2748 (1236.2) o EQ530
o TS2749 (1252.7) o DDC920
o UDC393 o
[ EQ406 ] C1 ENERGY= 952.3 kJ/mol ( -377.9567845 Hartree)
Energy+ZPE= 934.6 kJ/mol ZPE= 0.0427896
CONNECTIONS:
o TS2289 (994.3) o EQ310
o TS2750 (957.9) o EQ409
o TS2751 (955.5) o EQ410
o TS2752 (981.4) o EQ410
o TS2753 (1308.4) o EQ415
o TS2754 (967.7) o EQ420
o TS2755 (1217.4) o EQ530
o TS2756 (1209.3) o EQ532
o TS2757 (1241.6) o EQ549
o TS2758 (1205.4) o DDC921
o TS2759 (1253.6) o DDC922
o UDC394 o
o UDC395 o
[ EQ407 ] Cs ENERGY= 952.5 kJ/mol ( -377.9566818 Hartree)
Energy+ZPE= 936.2 kJ/mol ZPE= 0.0433469
CONNECTIONS:
o TS2549 (1043.9) o EQ360
o TS2589 (1035.4) o EQ370
o TS2760 (970.1) o EQ414
o TS2761 (989.6) o EQ415
[ EQ408 ] C1 ENERGY= 953.3 kJ/mol ( -377.9563946 Hartree)
Energy+ZPE= 939.4 kJ/mol ZPE= 0.0442345
CONNECTIONS:
o TS834 (1037.7) o EQ72
o TS2672 (953.5) o EQ388
o TS2678 (1055.6) o EQ389
o TS2762 (953.7) o EQ408
o TS2763 (1043.7) o DDC923
[ EQ409 ] C1 ENERGY= 953.4 kJ/mol ( -377.9563569 Hartree)
Energy+ZPE= 935.5 kJ/mol ZPE= 0.0427466
CONNECTIONS:
o TS2272 (996.5) o EQ308
o TS2273 (997.7) o EQ308
o TS2599 (987.2) o EQ373
o TS2745 (965.8) o EQ405
o TS2750 (957.9) o EQ406
o TS2764 (1032.6) o EQ409
o TS2765 (1036.9) o EQ410
o TS2766 (956.1) o EQ411
o TS2767 (1205.6) o EQ531
o TS2768 (1238.9) o EQ531
o TS2769 (1231.0) o EQ534
o TS2770 (1104.6) o DDC924
o TS2771 (1121.6) o DDC925
o TS2772 (1279.8) o DDC926
o TS3905 (1029.6) o xx
o UDC396 o
o UDC397 o
[ EQ410 ] C1 ENERGY= 953.5 kJ/mol ( -377.9563308 Hartree)
Energy+ZPE= 935.7 kJ/mol ZPE= 0.0427681
CONNECTIONS:
o TS2274 (995.4) o EQ308
o TS2275 (997.2) o EQ308
o TS2728 (966.4) o EQ400
o TS2751 (955.5) o EQ406
o TS2752 (981.4) o EQ406
o TS2765 (1036.9) o EQ409
o TS2773 (958.8) o EQ411
o TS2774 (1232.1) o EQ531
o TS2775 (1207.4) o EQ534
o TS2776 (1280.1) o DDC927
[ EQ411 ] C1 ENERGY= 954.2 kJ/mol ( -377.9560382 Hartree)
Energy+ZPE= 936.2 kJ/mol ZPE= 0.0427066
CONNECTIONS:
o TS2290 (997.3) o EQ310
o TS2291 (998.0) o EQ310
o TS2729 (963.8) o EQ400
o TS2766 (956.1) o EQ409
o TS2773 (958.8) o EQ410
o TS2777 (1209.1) o EQ530
o TS2778 (1213.1) o EQ532
o TS2779 (1242.2) o EQ550
o UDC398 o
o UDC399 o
[ EQ412 ] C1 ENERGY= 954.3 kJ/mol ( -377.9560264 Hartree)
Energy+ZPE= 932.8 kJ/mol ZPE= 0.0413479
CONNECTIONS:
o TS294 (976.2) o EQ31
o TS640 (990.4) o EQ54
o TS2780 (972.0) o EQ413
o TS2781 (955.9) o DDC928
o TS2782 (957.1) o DDC929
o TS2783 (958.8) o DDC930
o TS2784 (972.2) o DDC931
[ EQ413 ] C1 ENERGY= 958.0 kJ/mol ( -377.9545841 Hartree)
Energy+ZPE= 936.6 kJ/mol ZPE= 0.0414142
CONNECTIONS:
o TS335 (961.5) o EQ33
o TS336 (961.7) o EQ33
o TS348 (972.7) o EQ34
o TS629 (989.1) o EQ52
o TS2780 (972.0) o EQ412
o TS2785 (959.4) o DDC932
o TS2786 (963.0) o DDC933
[ EQ414 ] Cs ENERGY= 961.7 kJ/mol ( -377.9531730 Hartree)
Energy+ZPE= 942.8 kJ/mol ZPE= 0.0423452
CONNECTIONS:
o TS2760 (970.1) o EQ407
o TS2787 (1296.0) o EQ548
o TS2788 (970.4) o DDC934
o UDC400 o
[ EQ415 ] C1 ENERGY= 963.5 kJ/mol ( -377.9524885 Hartree)
Energy+ZPE= 947.2 kJ/mol ZPE= 0.0433365
CONNECTIONS:
o TS2209 (1116.0) o EQ301
o TS2629 (1054.8) o EQ377
o TS2753 (1308.4) o EQ406
o TS2761 (989.6) o EQ407
o TS2789 (967.1) o EQ415
o TS2790 (976.3) o EQ419
o TS2791 (976.7) o EQ419
o TS2792 (1203.4) o EQ464
o TS2793 (1363.8) o EQ542
[ EQ416 ] C1 ENERGY= 963.9 kJ/mol ( -377.9523630 Hartree)
Energy+ZPE= 946.2 kJ/mol ZPE= 0.0427956
CONNECTIONS:
o TS2008 (964.6) o EQ261
o TS2794 (964.0) o DDC935
o TS2795 (966.7) o DDC936
[ EQ417 ] C1 ENERGY= 965.9 kJ/mol ( -377.9515878 Hartree)
Energy+ZPE= 946.3 kJ/mol ZPE= 0.0420703
CONNECTIONS:
o TS2210 (965.9) o EQ301
o TS2613 (1044.6) o EQ375
o TS2796 (975.0) o EQ417
o TS2797 (977.4) o EQ421
o UDC401 o
[ EQ418 ] C1 ENERGY= 966.3 kJ/mol ( -377.9514411 Hartree)
Energy+ZPE= 950.1 kJ/mol ZPE= 0.0433611
CONNECTIONS:
o TS253 (980.5) o EQ27
o TS1726 (1001.6) o EQ197
o TS1847 (1017.1) o EQ221
o TS1848 (1017.5) o EQ221
o TS1985 (1061.2) o EQ254
o TS2079 (993.3) o EQ275
o TS2412 (1030.4) o EQ339
o TS2738 (974.0) o EQ403
o TS2798 (970.0) o EQ418
o TS2799 (1051.8) o DDC937
o TS2800 (1053.9) o DDC938
o UDC402 o
[ EQ419 ] C1 ENERGY= 966.7 kJ/mol ( -377.9513012 Hartree)
Energy+ZPE= 948.4 kJ/mol ZPE= 0.0425621
CONNECTIONS:
o TS2554 (1340.3) o EQ361
o TS2790 (976.3) o EQ415
o TS2791 (976.7) o EQ415
o TS2801 (974.0) o EQ419
o TS2802 (1137.1) o EQ509
o TS2803 (1266.0) o EQ542
o TS2804 (1282.9) o EQ546
o TS2805 (1299.2) o EQ546
o TS2806 (1300.2) o EQ546
o TS2807 (969.3) o DDC939
o TS2808 (1334.0) o DDC940
o TS3906 (1332.9) o xx
o UDC403 o
[ EQ420 ] C1 ENERGY= 967.3 kJ/mol ( -377.9510531 Hartree)
Energy+ZPE= 950.4 kJ/mol ZPE= 0.0430939
CONNECTIONS:
o TS379 (1125.3) o EQ38
o TS2276 (991.5) o EQ308
o TS2442 (1001.9) o EQ343
o TS2707 (968.1) o EQ394
o TS2754 (967.7) o EQ406
o TS2809 (1087.4) o EQ467
o TS2810 (1086.2) o EQ482
[ EQ421 ] C1 ENERGY= 968.7 kJ/mol ( -377.9505131 Hartree)
Energy+ZPE= 952.1 kJ/mol ZPE= 0.0432329
CONNECTIONS:
o TS2211 (975.4) o EQ301
o TS2212 (1279.7) o EQ301
o TS2590 (1050.4) o EQ370
o TS2604 (1056.8) o EQ374
o TS2797 (977.4) o EQ417
o TS2811 (972.5) o EQ421
o TS2812 (1202.5) o EQ538
o TS2813 (1196.4) o DDC941
o TS2814 (1198.0) o DDC942
o TS2815 (1234.7) o DDC943
[ EQ422 ] C1 ENERGY= 969.0 kJ/mol ( -377.9504125 Hartree)
Energy+ZPE= 946.8 kJ/mol ZPE= 0.0411047
CONNECTIONS:
o TS1630 (987.5) o EQ179
o TS2816 (976.1) o EQ422
o TS2817 (978.9) o EQ422
o TS2818 (1014.9) o DDC944
o UDC404 o
[ EQ423 ] C1 ENERGY= 969.0 kJ/mol ( -377.9504085 Hartree)
Energy+ZPE= 948.8 kJ/mol ZPE= 0.0418347
CONNECTIONS:
o TS398 (993.0) o EQ39
o TS406 (969.1) o EQ40
o TS2819 (1118.8) o EQ483
o TS2820 (981.9) o DDC945
o TS2821 (1005.2) o DDC946
[ EQ424 ] Cs ENERGY= 969.1 kJ/mol ( -377.9503568 Hartree)
Energy+ZPE= 951.5 kJ/mol ZPE= 0.0428448
CONNECTIONS:
o TS991 (1046.6) o EQ86
o TS1759 (985.7) o EQ205
o TS2300 (1039.9) o EQ312
o TS2822 (1058.4) o EQ428
o TS2823 (999.8) o EQ433
o TS2824 (1002.6) o DDC947
o TS2825 (1077.0) o DDC948
o UDC405 o
o UDC406 o
[ EQ425 ] C1 ENERGY= 971.9 kJ/mol ( -377.9492979 Hartree)
Energy+ZPE= 952.0 kJ/mol ZPE= 0.0419740
CONNECTIONS:
o TS1672 (972.9) o EQ186
o TS1693 (979.9) o EQ190
[ EQ426 ] C1 ENERGY= 973.3 kJ/mol ( -377.9487827 Hartree)
Energy+ZPE= 959.6 kJ/mol ZPE= 0.0443433
CONNECTIONS:
o TS2379 (990.0) o EQ330
o TS2538 (1023.5) o EQ358
o TS2826 (986.3) o EQ436
o TS2827 (988.3) o DDC949
o TS2828 (992.8) o DDC950
o TS2829 (999.5) o DDC951
o UDC407 o
[ EQ427 ] C1 ENERGY= 976.4 kJ/mol ( -377.9475731 Hartree)
Energy+ZPE= 956.8 kJ/mol ZPE= 0.0420956
CONNECTIONS:
o TS1927 (982.8) o EQ245
o TS2329 (1102.9) o EQ320
o TS2419 (1065.4) o EQ340
o TS2830 (991.0) o EQ427
o TS2831 (1067.3) o EQ427
o TS2832 (1025.9) o EQ440
o TS2833 (1079.7) o EQ440
o TS2834 (985.7) o DDC952
o TS2835 (988.4) o DDC953
[ EQ428 ] Cs ENERGY= 976.7 kJ/mol ( -377.9474752 Hartree)
Energy+ZPE= 956.7 kJ/mol ZPE= 0.0419416
CONNECTIONS:
o TS1710 (992.9) o EQ195
o TS2029 (1026.9) o EQ265
o TS2822 (1058.4) o EQ424
o TS2836 (1005.6) o DDC954
o TS2837 (1006.2) o DDC955
o TS2838 (1075.5) o DDC956
o TS2839 (1094.2) o DDC957
o UDC408 o
[ EQ429 ] C1 ENERGY= 978.3 kJ/mol ( -377.9468504 Hartree)
Energy+ZPE= 957.9 kJ/mol ZPE= 0.0417824
CONNECTIONS:
o TS2840 (993.9) o EQ432
o TS2841 (1032.8) o EQ452
o TS2842 (978.9) o DDC958
o TS2843 (980.1) o DDC959
o TS2844 (982.9) o DDC960
o TS2845 (983.0) o DDC961
o TS2846 (1024.9) o DDC962
o TS2847 (1027.0) o DDC963
[ EQ430 ] C1 ENERGY= 980.5 kJ/mol ( -377.9460309 Hartree)
Energy+ZPE= 956.8 kJ/mol ZPE= 0.0405377
CONNECTIONS:
o TS2848 (982.2) o EQ430
o TS2849 (985.3) o DDC964
o TS2850 (1006.2) o DDC965
o TS2851 (1006.3) o DDC966
[ EQ431 ] C1 ENERGY= 982.8 kJ/mol ( -377.9451431 Hartree)
Energy+ZPE= 957.4 kJ/mol ZPE= 0.0398644
CONNECTIONS:
o TS2852 (984.1) o EQ435
o TS2853 (1199.3) o EQ537
o TS2854 (985.8) o DDC967
o TS2855 (990.6) o DDC968
o TS2856 (1000.3) o DDC969
o TS2857 (1037.1) o DDC970
o TS2858 (1042.9) o DDC971
o TS2859 (1167.0) o DDC972
o TS2860 (1171.4) o DDC973
o TS2861 (1243.0) o DDC974
[ EQ432 ] C1 ENERGY= 983.0 kJ/mol ( -377.9450854 Hartree)
Energy+ZPE= 963.7 kJ/mol ZPE= 0.0421971
CONNECTIONS:
o TS1153 (986.9) o EQ111
o TS2840 (993.9) o EQ429
o TS2862 (1034.2) o EQ437
o TS2863 (986.0) o DDC975
o TS2864 (991.6) o DDC976
o TS2865 (1130.3) o DDC977
[ EQ433 ] C1 ENERGY= 983.2 kJ/mol ( -377.9449891 Hartree)
Energy+ZPE= 964.5 kJ/mol ZPE= 0.0424152
CONNECTIONS:
o TS1849 (1000.2) o EQ221
o TS1850 (1032.0) o EQ221
o TS1902 (1000.3) o EQ238
o TS2823 (999.8) o EQ424
o TS2866 (983.3) o EQ433
o TS2867 (1015.4) o EQ446
o TS2868 (1026.7) o DDC978
o TS2869 (1079.2) o DDC979
o UDC409 o
[ EQ434 ] C1 ENERGY= 983.8 kJ/mol ( -377.9447718 Hartree)
Energy+ZPE= 959.4 kJ/mol ZPE= 0.0402615
CONNECTIONS:
o TS2870 (1024.5) o EQ455
[ EQ435 ] C1 ENERGY= 984.0 kJ/mol ( -377.9446813 Hartree)
Energy+ZPE= 957.8 kJ/mol ZPE= 0.0395722
CONNECTIONS:
o TS2852 (984.1) o EQ431
o TS2871 (1198.5) o EQ529
o TS2872 (1210.6) o EQ539
o TS2873 (986.2) o DDC980
o TS2874 (988.8) o DDC981
o TS2875 (994.8) o DDC982
o TS2876 (1043.2) o DDC983
o TS2877 (1130.3) o DDC984
o TS2878 (1203.2) o DDC985
o TS2879 (1274.5) o DDC986
[ EQ436 ] Cs ENERGY= 984.5 kJ/mol ( -377.9445166 Hartree)
Energy+ZPE= 971.1 kJ/mol ZPE= 0.0444372
CONNECTIONS:
o TS2826 (986.3) o EQ426
o TS2880 (1103.2) o DDC987
o UDC410 o
[ EQ437 ] C1 ENERGY= 986.2 kJ/mol ( -377.9438472 Hartree)
Energy+ZPE= 966.7 kJ/mol ZPE= 0.0421288
CONNECTIONS:
o TS1154 (991.4) o EQ111
o TS2862 (1034.2) o EQ432
o TS2881 (999.9) o EQ439
o TS2882 (988.6) o DDC988
o TS2883 (998.5) o DDC989
o TS2884 (1031.6) o DDC990
[ EQ438 ] Cs ENERGY= 987.4 kJ/mol ( -377.9434014 Hartree)
Energy+ZPE= 973.6 kJ/mol ZPE= 0.0442866
CONNECTIONS:
o TS804 (1100.6) o EQ70
o TS1636 (1118.4) o EQ180
o TS2885 (1040.4) o EQ444
o TS2886 (1168.0) o EQ495
o TS2887 (1077.7) o DDC991
o TS2888 (1085.6) o DDC992
o TS2889 (1088.0) o DDC993
o TS2890 (1145.7) o DDC994
o TS2891 (1176.9) o DDC995
o TS2892 (1181.6) o DDC996
o UDC411 o
[ EQ439 ] C1 ENERGY= 988.2 kJ/mol ( -377.9430788 Hartree)
Energy+ZPE= 967.5 kJ/mol ZPE= 0.0416757
CONNECTIONS:
o TS1083 (993.2) o EQ100
o TS2881 (999.9) o EQ437
o TS2893 (988.3) o DDC997
o TS2894 (994.1) o DDC998
o TS2895 (995.5) o DDC999
o UDC412 o
[ EQ440 ] C1 ENERGY= 989.3 kJ/mol ( -377.9426923 Hartree)
Energy+ZPE= 972.8 kJ/mol ZPE= 0.0432747
CONNECTIONS:
o TS2324 (996.4) o EQ319
o TS2420 (1027.6) o EQ340
o TS2421 (1103.1) o EQ340
o TS2832 (1025.9) o EQ427
o TS2833 (1079.7) o EQ427
o TS2896 (989.8) o EQ440
o TS2897 (1046.4) o EQ440
o TS2898 (1029.3) o EQ442
o TS2899 (1210.3) o EQ508
o TS2900 (1194.5) o EQ536
o TS2901 (1206.4) o EQ536
o UDC413 o
o UDC414 o
[ EQ441 ] C1 ENERGY= 996.0 kJ/mol ( -377.9401245 Hartree)
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0439014
CONNECTIONS:
o TS1937 (1001.5) o EQ247
o TS2539 (997.7) o EQ358
o TS2902 (996.2) o DDC1000
[ EQ442 ] C2 ENERGY= 998.5 kJ/mol ( -377.9391847 Hartree)
Energy+ZPE= 981.7 kJ/mol ZPE= 0.0431514
CONNECTIONS:
o TS1928 (1032.6) o EQ245
o TS2320 (1007.0) o EQ318
o TS2422 (1045.7) o EQ340
o TS2423 (1059.4) o EQ340
o TS2898 (1029.3) o EQ440
o TS2903 (1024.6) o EQ442
o TS2904 (1140.2) o DDC1001
o TS2905 (1145.7) o DDC1002
[ EQ443 ] C1 ENERGY= 1003.8 kJ/mol ( -377.9371393 Hartree)
Energy+ZPE= 977.8 kJ/mol ZPE= 0.0396499
CONNECTIONS:
o TS2906 (1004.1) o DDC1003
o TS2907 (1151.4) o DDC1004
o TS2908 (1152.0) o DDC1005
o TS2909 (1179.9) o DDC1006
[ EQ444 ] Cs ENERGY= 1006.2 kJ/mol ( -377.9362459 Hartree)
Energy+ZPE= 992.4 kJ/mol ZPE= 0.0442888
CONNECTIONS:
o TS2605 (1103.1) o EQ374
o TS2885 (1040.4) o EQ438
o TS2910 (1109.3) o DDC1007
o TS2911 (1110.1) o DDC1008
o TS2912 (1136.2) o DDC1009
o TS2913 (1200.7) o DDC1010
o UDC415 o
[ EQ445 ] C1 ENERGY= 1006.4 kJ/mol ( -377.9361663 Hartree)
Energy+ZPE= 993.1 kJ/mol ZPE= 0.0444955
CONNECTIONS:
o TS458 (1020.9) o EQ43
o TS720 (1029.5) o EQ61
o TS805 (1024.3) o EQ70
o TS2277 (1024.3) o EQ308
o TS2278 (1115.5) o EQ308
o TS2914 (1019.0) o EQ449
o TS2915 (1042.3) o EQ449
o TS2916 (1322.0) o EQ451
o TS2917 (1307.4) o EQ520
o TS2918 (1229.6) o EQ531
o TS2919 (1229.9) o EQ531
o TS2920 (1234.7) o EQ534
o TS2921 (1236.2) o EQ534
o UDC416 o
[ EQ446 ] Cs ENERGY= 1007.1 kJ/mol ( -377.9358829 Hartree)
Energy+ZPE= 987.7 kJ/mol ZPE= 0.0421475
CONNECTIONS:
o TS2080 (1031.8) o EQ275
o TS2867 (1015.4) o EQ433
o TS2922 (1032.4) o DDC1011
o UDC417 o
[ EQ447 ] C1 ENERGY= 1014.0 kJ/mol ( -377.9332569 Hartree)
Energy+ZPE= 999.4 kJ/mol ZPE= 0.0439866
CONNECTIONS:
o TS459 (1086.1) o EQ43
o TS490 (1054.7) o EQ44
o TS511 (1041.1) o EQ45
o TS663 (1026.9) o EQ56
o TS730 (1067.3) o EQ62
o TS1820 (1047.3) o EQ217
o TS1821 (1073.1) o EQ217
o TS1929 (1042.2) o EQ245
o TS2172 (1092.9) o EQ295
o TS2730 (1197.5) o EQ400
o TS2923 (1077.2) o EQ459
o TS2924 (1070.5) o EQ478
o TS2925 (1053.1) o EQ479
o TS2926 (1134.3) o EQ486
o TS2927 (1199.5) o EQ530
o TS2928 (1205.1) o EQ532
o TS2929 (1206.7) o EQ534
o TS2930 (1212.0) o DDC1012
o UDC418 o
[ EQ448 ] C2v ENERGY= 1016.4 kJ/mol ( -377.9323640 Hartree)
Energy+ZPE= 1000.3 kJ/mol ZPE= 0.0434215
CONNECTIONS:
o TS2321 (1040.7) o EQ318
o TS2424 (1028.1) o EQ340
o TS2931 (1349.9) o DDC1013
[ EQ449 ] C1 ENERGY= 1016.5 kJ/mol ( -377.9323103 Hartree)
Energy+ZPE= 1002.4 kJ/mol ZPE= 0.0441916
CONNECTIONS:
o TS806 (1030.0) o EQ70
o TS1822 (1018.7) o EQ217
o TS2292 (1031.9) o EQ310
o TS2293 (1112.2) o EQ310
o TS2294 (1187.0) o EQ310
o TS2372 (1195.1) o EQ329
o TS2914 (1019.0) o EQ445
o TS2915 (1042.3) o EQ445
o TS2932 (1294.4) o EQ458
o TS2933 (1295.4) o EQ474
o TS2934 (1201.1) o EQ509
o TS2935 (1236.9) o EQ532
[ EQ450 ] C1 ENERGY= 1020.1 kJ/mol ( -377.9309525 Hartree)
Energy+ZPE= 1001.6 kJ/mol ZPE= 0.0425155
CONNECTIONS:
o TS951 (1029.8) o EQ81
o TS2936 (1026.8) o EQ452
o TS2937 (1027.5) o EQ453
o TS2938 (1048.1) o EQ457
o TS2939 (1057.0) o EQ457
o TS2940 (1142.7) o EQ489
o TS2941 (1020.5) o DDC1014
[ EQ451 ] C1 ENERGY= 1021.2 kJ/mol ( -377.9305452 Hartree)
Energy+ZPE= 1009.2 kJ/mol ZPE= 0.0449804
CONNECTIONS:
o TS512 (1068.7) o EQ45
o TS555 (1073.6) o EQ48
o TS2213 (1037.9) o EQ301
o TS2214 (1103.8) o EQ301
o TS2316 (1159.4) o EQ316
o TS2916 (1322.0) o EQ445
o TS2942 (1033.2) o EQ454
o TS2943 (1038.3) o EQ454
o TS2944 (1043.5) o EQ454
o TS2945 (1207.4) o EQ540
o TS2946 (1102.9) o DDC1015
o TS2947 (1343.4) o DDC1016
o UDC419 o
[ EQ452 ] C1 ENERGY= 1021.3 kJ/mol ( -377.9304817 Hartree)
Energy+ZPE= 1002.5 kJ/mol ZPE= 0.0423722
CONNECTIONS:
o TS952 (1027.4) o EQ81
o TS1205 (1138.9) o EQ117
o TS2841 (1032.8) o EQ429
o TS2936 (1026.8) o EQ450
o TS2948 (1022.6) o EQ453
o TS2949 (1049.8) o EQ456
o TS2950 (1053.1) o EQ456
o TS2951 (1143.2) o EQ491
o TS2952 (1023.3) o DDC1017
o TS2953 (1135.1) o DDC1018
o UDC420 o
[ EQ453 ] C1 ENERGY= 1022.2 kJ/mol ( -377.9301555 Hartree)
Energy+ZPE= 1004.9 kJ/mol ZPE= 0.0429642
CONNECTIONS:
o TS1181 (1032.4) o EQ114
o TS1197 (1136.8) o EQ116
o TS2937 (1027.5) o EQ450
o TS2948 (1022.6) o EQ452
[ EQ454 ] C1 ENERGY= 1023.0 kJ/mol ( -377.9298444 Hartree)
Energy+ZPE= 1011.0 kJ/mol ZPE= 0.0449818
CONNECTIONS:
o TS460 (1328.1) o EQ43
o TS513 (1070.5) o EQ45
o TS1070 (1111.0) o EQ99
o TS1567 (1073.1) o EQ168
o TS2215 (1033.7) o EQ301
o TS2216 (1096.7) o EQ301
o TS2746 (1265.1) o EQ405
o TS2942 (1033.2) o EQ451
o TS2943 (1038.3) o EQ451
o TS2944 (1043.5) o EQ451
o TS2954 (1249.6) o EQ512
o TS2955 (1303.0) o EQ533
o TS2956 (1404.1) o EQ548
o TS2957 (1366.4) o EQ559
o TS2958 (1369.6) o EQ563
o TS2959 (1237.8) o DDC1019
o UDC421 o
o UDC422 o
[ EQ455 ] C1 ENERGY= 1024.3 kJ/mol ( -377.9293607 Hartree)
Energy+ZPE= 993.9 kJ/mol ZPE= 0.0379511
CONNECTIONS:
o TS2870 (1024.5) o EQ434
o TS2960 (1024.3) o DDC1020
o TS2961 (1027.3) o DDC1021
[ EQ456 ] C1 ENERGY= 1024.6 kJ/mol ( -377.9292234 Hartree)
Energy+ZPE= 1005.8 kJ/mol ZPE= 0.0423839
CONNECTIONS:
o TS2166 (1025.8) o EQ294
o TS2949 (1049.8) o EQ452
o TS2950 (1053.1) o EQ452
o TS2962 (1031.5) o EQ457
o TS2963 (1039.4) o EQ457
o TS2964 (1026.4) o DDC1022
o TS2965 (1139.8) o DDC1023
o UDC423 o
[ EQ457 ] C1 ENERGY= 1024.6 kJ/mol ( -377.9292167 Hartree)
Energy+ZPE= 1005.9 kJ/mol ZPE= 0.0424218
CONNECTIONS:
o TS1084 (1054.0) o EQ100
o TS2167 (1028.3) o EQ294
o TS2938 (1048.1) o EQ450
o TS2939 (1057.0) o EQ450
o TS2962 (1031.5) o EQ456
o TS2963 (1039.4) o EQ456
o TS2966 (1025.2) o DDC1024
o UDC424 o
[ EQ458 ] C1 ENERGY= 1027.3 kJ/mol ( -377.9282167 Hartree)
Energy+ZPE= 1013.4 kJ/mol ZPE= 0.0442661
CONNECTIONS:
o TS586 (1068.7) o EQ49
o TS2279 (1065.7) o EQ308
o TS2280 (1139.7) o EQ308
o TS2443 (1043.6) o EQ343
o TS2591 (1065.3) o EQ370
o TS2614 (1065.3) o EQ375
o TS2660 (1195.1) o EQ386
o TS2932 (1294.4) o EQ449
o TS2967 (1050.2) o EQ474
o TS2968 (1163.7) o EQ474
o TS2969 (1069.7) o EQ485
o TS2970 (1244.3) o EQ512
o TS2971 (1215.1) o EQ520
o TS2972 (1081.7) o DDC1025
[ EQ459 ] C1 ENERGY= 1033.5 kJ/mol ( -377.9258320 Hartree)
Energy+ZPE= 1017.3 kJ/mol ZPE= 0.0433784
CONNECTIONS:
o TS461 (1087.5) o EQ43
o TS491 (1046.0) o EQ44
o TS556 (1055.7) o EQ48
o TS751 (1075.3) o EQ64
o TS1823 (1064.6) o EQ217
o TS2923 (1077.2) o EQ447
o TS2973 (1055.7) o EQ478
o TS2974 (1072.6) o EQ479
o UDC425 o
[ EQ460 ] C1 ENERGY= 1037.9 kJ/mol ( -377.9241606 Hartree)
Energy+ZPE= 1016.6 kJ/mol ZPE= 0.0414511
CONNECTIONS:
o TS1673 (1114.4) o EQ186
o TS2490 (1069.9) o EQ352
o TS2491 (1081.5) o EQ352
o TS2975 (1044.8) o EQ460
o TS2976 (1056.7) o EQ460
o TS2977 (1061.0) o EQ461
o TS2978 (1061.2) o EQ461
o TS2979 (1056.7) o EQ463
o TS2980 (1044.0) o EQ465
o TS2981 (1044.2) o EQ465
o TS2982 (1058.6) o EQ465
o TS2983 (1058.1) o EQ469
o TS2984 (1056.9) o EQ475
o TS2985 (1331.4) o EQ547
o TS2986 (1278.7) o EQ552
o TS2987 (1302.8) o EQ555
o TS2988 (1340.3) o EQ556
o TS2989 (1392.5) o EQ576
o TS2990 (1052.8) o DDC1026
o TS2991 (1059.9) o DDC1027
o UDC426 o
[ EQ461 ] C1 ENERGY= 1039.9 kJ/mol ( -377.9233907 Hartree)
Energy+ZPE= 1020.0 kJ/mol ZPE= 0.0419510
CONNECTIONS:
o TS2977 (1061.0) o EQ460
o TS2978 (1061.2) o EQ460
o TS2992 (1042.2) o EQ463
o TS2993 (1051.1) o EQ463
o TS2994 (1061.7) o EQ465
o TS2995 (1047.6) o EQ469
o TS2996 (1048.3) o EQ469
o TS2997 (1056.3) o EQ469
o TS2998 (1057.0) o EQ469
o TS2999 (1051.2) o EQ472
o TS3000 (1280.4) o EQ551
o TS3001 (1307.4) o EQ556
o TS3002 (1087.7) o DDC1028
o UDC427 o
[ EQ462 ] C1 ENERGY= 1040.8 kJ/mol ( -377.9230499 Hartree)
Energy+ZPE= 1018.6 kJ/mol ZPE= 0.0410848
CONNECTIONS:
o TS2492 (1071.6) o EQ352
o TS3003 (1055.3) o EQ480
[ EQ463 ] C1 ENERGY= 1040.9 kJ/mol ( -377.9230186 Hartree)
Energy+ZPE= 1021.5 kJ/mol ZPE= 0.0421670
CONNECTIONS:
o TS2979 (1056.7) o EQ460
o TS2992 (1042.2) o EQ461
o TS2993 (1051.1) o EQ461
o TS3004 (1271.8) o EQ547
o TS3005 (1080.7) o DDC1029
[ EQ464 ] C1 ENERGY= 1041.5 kJ/mol ( -377.9227913 Hartree)
Energy+ZPE= 1025.4 kJ/mol ZPE= 0.0434325
CONNECTIONS:
o TS615 (1056.5) o EQ51
o TS616 (1100.6) o EQ51
o TS2067 (1075.0) o EQ272
o TS2444 (1046.7) o EQ343
o TS2597 (1052.6) o EQ372
o TS2792 (1203.4) o EQ415
o TS3006 (1190.6) o EQ464
o TS3007 (1051.5) o EQ466
o TS3008 (1052.1) o EQ468
o TS3009 (1187.4) o EQ512
o TS3010 (1272.2) o EQ533
[ EQ465 ] C1 ENERGY= 1042.0 kJ/mol ( -377.9225968 Hartree)
Energy+ZPE= 1020.4 kJ/mol ZPE= 0.0413361
CONNECTIONS:
o TS2980 (1044.0) o EQ460
o TS2981 (1044.2) o EQ460
o TS2982 (1058.6) o EQ460
o TS2994 (1061.7) o EQ461
o TS3011 (1042.7) o EQ465
o TS3012 (1056.2) o EQ472
o UDC428 o
[ EQ466 ] C1 ENERGY= 1044.4 kJ/mol ( -377.9216788 Hartree)
Energy+ZPE= 1028.9 kJ/mol ZPE= 0.0436624
CONNECTIONS:
o TS462 (1268.5) o EQ43
o TS617 (1054.3) o EQ51
o TS618 (1098.4) o EQ51
o TS2140 (1083.4) o EQ289
o TS2445 (1048.7) o EQ343
o TS2592 (1058.0) o EQ370
o TS3007 (1051.5) o EQ464
o TS3013 (1063.4) o EQ468
o TS3907 (1201.3) o xx
[ EQ467 ] C1 ENERGY= 1044.9 kJ/mol ( -377.9214976 Hartree)
Energy+ZPE= 1025.0 kJ/mol ZPE= 0.0419731
CONNECTIONS:
o TS2809 (1087.4) o EQ420
o TS3014 (1083.0) o EQ467
o TS3015 (1102.6) o EQ471
o TS3016 (1056.4) o EQ473
o TS3017 (1059.7) o EQ473
o TS3018 (1063.0) o EQ482
o TS3019 (1088.6) o EQ486
o TS3020 (1080.1) o EQ501
o TS3021 (1100.3) o EQ501
o TS3022 (1086.2) o EQ505
o TS3023 (1112.3) o EQ505
o TS3024 (1076.0) o DDC1030
o UDC429 o
[ EQ468 ] C1 ENERGY= 1045.3 kJ/mol ( -377.9213476 Hartree)
Energy+ZPE= 1030.1 kJ/mol ZPE= 0.0437697
CONNECTIONS:
o TS542 (1057.6) o EQ47
o TS543 (1091.9) o EQ47
o TS772 (1205.5) o EQ67
o TS2141 (1084.8) o EQ289
o TS2446 (1059.7) o EQ343
o TS2661 (1193.5) o EQ386
o TS3008 (1052.1) o EQ464
o TS3013 (1063.4) o EQ466
o TS3025 (1196.2) o EQ512
[ EQ469 ] C1 ENERGY= 1045.8 kJ/mol ( -377.9211689 Hartree)
Energy+ZPE= 1024.1 kJ/mol ZPE= 0.0412733
CONNECTIONS:
o TS2983 (1058.1) o EQ460
o TS2995 (1047.6) o EQ461
o TS2996 (1048.3) o EQ461
o TS2997 (1056.3) o EQ461
o TS2998 (1057.0) o EQ461
o TS3026 (1046.9) o EQ469
o TS3027 (1052.9) o EQ475
[ EQ470 ] C1 ENERGY= 1047.1 kJ/mol ( -377.9206721 Hartree)
Energy+ZPE= 1024.8 kJ/mol ZPE= 0.0410472
CONNECTIONS:
o TS380 (1066.6) o EQ38
o TS731 (1054.3) o EQ62
o TS2217 (1049.2) o EQ301
o TS3028 (1050.8) o EQ471
o TS3029 (1051.9) o EQ471
o TS3030 (1054.3) o EQ471
o TS3031 (1144.8) o EQ501
o UDC430 o
[ EQ471 ] C1 ENERGY= 1047.6 kJ/mol ( -377.9204831 Hartree)
Energy+ZPE= 1025.4 kJ/mol ZPE= 0.0410852
CONNECTIONS:
o TS407 (1066.1) o EQ40
o TS732 (1054.2) o EQ62
o TS752 (1058.9) o EQ64
o TS2218 (1051.7) o EQ301
o TS3015 (1102.6) o EQ467
o TS3028 (1050.8) o EQ470
o TS3029 (1051.9) o EQ470
o TS3030 (1054.3) o EQ470
o UDC431 o
[ EQ472 ] C1 ENERGY= 1048.4 kJ/mol ( -377.9201556 Hartree)
Energy+ZPE= 1028.3 kJ/mol ZPE= 0.0419026
CONNECTIONS:
o TS1282 (1083.6) o EQ129
o TS1374 (1148.8) o EQ139
o TS1857 (1119.0) o EQ223
o TS2999 (1051.2) o EQ461
o TS3012 (1056.2) o EQ465
o TS3032 (1053.9) o EQ475
o TS3033 (1051.2) o EQ476
o TS3034 (1071.6) o EQ476
o TS3035 (1076.1) o EQ493
o TS3036 (1323.8) o EQ516
o UDC432 o
o UDC433 o
[ EQ473 ] C1 ENERGY= 1048.5 kJ/mol ( -377.9201434 Hartree)
Energy+ZPE= 1028.1 kJ/mol ZPE= 0.0417660
CONNECTIONS:
o TS381 (1082.2) o EQ38
o TS2637 (1160.3) o EQ379
o TS3016 (1056.4) o EQ467
o TS3017 (1059.7) o EQ467
o TS3037 (1074.9) o EQ473
o TS3038 (1099.3) o EQ473
o TS3039 (1101.5) o EQ482
o TS3040 (1085.1) o EQ500
o TS3041 (1157.4) o EQ518
o UDC434 o
[ EQ474 ] C1 ENERGY= 1048.5 kJ/mol ( -377.9201143 Hartree)
Energy+ZPE= 1033.9 kJ/mol ZPE= 0.0439678
CONNECTIONS:
o TS619 (1058.1) o EQ51
o TS2447 (1051.7) o EQ343
o TS2933 (1295.4) o EQ449
o TS2967 (1050.2) o EQ458
o TS2968 (1163.7) o EQ458
o TS3042 (1074.8) o EQ485
o TS3043 (1212.7) o EQ520
o TS3044 (1110.3) o DDC1031
[ EQ475 ] C1 ENERGY= 1049.5 kJ/mol ( -377.9197522 Hartree)
Energy+ZPE= 1029.4 kJ/mol ZPE= 0.0418978
CONNECTIONS:
o TS1338 (1086.0) o EQ134
o TS1831 (1116.1) o EQ218
o TS2219 (1109.9) o EQ301
o TS2984 (1056.9) o EQ460
o TS3027 (1052.9) o EQ469
o TS3032 (1053.9) o EQ472
o TS3045 (1088.3) o EQ476
o TS3046 (1053.3) o EQ480
o TS3047 (1067.4) o EQ480
o TS3048 (1076.8) o EQ496
o UDC435 o
[ EQ476 ] C1 ENERGY= 1050.7 kJ/mol ( -377.9193022 Hartree)
Energy+ZPE= 1030.7 kJ/mol ZPE= 0.0419318
CONNECTIONS:
o TS1283 (1083.5) o EQ129
o TS1375 (1144.3) o EQ139
o TS2220 (1107.5) o EQ301
o TS3033 (1051.2) o EQ472
o TS3034 (1071.6) o EQ472
o TS3045 (1088.3) o EQ475
o TS3049 (1079.6) o EQ496
o TS3050 (1153.4) o EQ510
o TS3051 (1319.5) o EQ559
o UDC436 o
[ EQ477 ] C1 ENERGY= 1051.1 kJ/mol ( -377.9191293 Hartree)
Energy+ZPE= 1034.1 kJ/mol ZPE= 0.0430778
CONNECTIONS:
o TS527 (1063.0) o EQ46
o TS528 (1105.3) o EQ46
o TS630 (1068.1) o EQ52
o TS2068 (1111.2) o EQ272
o TS3052 (1069.1) o EQ484
o TS3053 (1203.1) o EQ519
o TS3054 (1209.5) o EQ519
o TS3055 (1272.2) o EQ525
o TS3056 (1056.7) o DDC1032
o TS3057 (1066.4) o DDC1033
o TS3058 (1080.9) o DDC1034
o TS3059 (1139.4) o DDC1035
[ EQ478 ] C1 ENERGY= 1051.8 kJ/mol ( -377.9188670 Hartree)
Energy+ZPE= 1030.6 kJ/mol ZPE= 0.0414895
CONNECTIONS:
o TS733 (1057.9) o EQ62
o TS2221 (1052.6) o EQ301
o TS2924 (1070.5) o EQ447
o TS2973 (1055.7) o EQ459
o TS3060 (1053.5) o EQ479
o TS3061 (1141.9) o EQ486
o UDC437 o
[ EQ479 ] C1 ENERGY= 1051.8 kJ/mol ( -377.9188623 Hartree)
Energy+ZPE= 1030.6 kJ/mol ZPE= 0.0414750
CONNECTIONS:
o TS734 (1063.0) o EQ62
o TS2222 (1052.7) o EQ301
o TS2925 (1053.1) o EQ447
o TS2974 (1072.6) o EQ459
o TS3060 (1053.5) o EQ478
[ EQ480 ] C1 ENERGY= 1052.5 kJ/mol ( -377.9186057 Hartree)
Energy+ZPE= 1032.2 kJ/mol ZPE= 0.0418197
CONNECTIONS:
o TS1339 (1149.5) o EQ134
o TS2223 (1110.8) o EQ301
o TS3003 (1055.3) o EQ462
o TS3046 (1053.3) o EQ475
o TS3047 (1067.4) o EQ475
o TS3062 (1076.3) o EQ493
o TS3063 (1151.7) o EQ511
o TS3064 (1217.9) o EQ543
o TS3065 (1368.1) o EQ547
o TS3066 (1325.3) o EQ563
o UDC438 o
[ EQ481 ] Cs ENERGY= 1054.1 kJ/mol ( -377.9179941 Hartree)
Energy+ZPE= 1025.0 kJ/mol ZPE= 0.0384700
CONNECTIONS:
o TS2281 (1054.8) o EQ308
o TS3067 (1058.7) o DDC1036
[ EQ482 ] C1 ENERGY= 1059.2 kJ/mol ( -377.9160656 Hartree)
Energy+ZPE= 1037.3 kJ/mol ZPE= 0.0412070
CONNECTIONS:
o TS2625 (1170.5) o EQ376
o TS2810 (1086.2) o EQ420
o TS3018 (1063.0) o EQ467
o TS3039 (1101.5) o EQ473
o TS3068 (1089.6) o EQ482
o TS3069 (1080.2) o EQ486
o TS3070 (1091.7) o EQ501
o TS3071 (1087.6) o EQ505
o TS3072 (1074.3) o DDC1037
o TS3073 (1277.9) o DDC1038
[ EQ483 ] C1 ENERGY= 1060.0 kJ/mol ( -377.9157473 Hartree)
Energy+ZPE= 1037.4 kJ/mol ZPE= 0.0409396
CONNECTIONS:
o TS437 (1126.6) o EQ42
o TS676 (1135.0) o EQ57
o TS685 (1141.8) o EQ58
o TS1024 (1113.4) o EQ90
o TS2583 (1133.6) o EQ369
o TS2819 (1118.8) o EQ423
o TS3074 (1068.6) o EQ483
o TS3075 (1081.6) o EQ483
o TS3076 (1074.7) o EQ495
o TS3077 (1076.7) o EQ495
o TS3078 (1096.8) o DDC1039
o TS3079 (1120.3) o DDC1040
o TS3080 (1120.8) o DDC1041
o TS3081 (1125.0) o DDC1042
o TS3082 (1125.8) o DDC1043
o TS3083 (1126.8) o DDC1044
o TS3084 (1140.0) o DDC1045
o TS3085 (1162.9) o DDC1046
[ EQ484 ] C1 ENERGY= 1063.3 kJ/mol ( -377.9144844 Hartree)
Energy+ZPE= 1045.3 kJ/mol ZPE= 0.0426832
CONNECTIONS:
o TS631 (1069.3) o EQ52
o TS2142 (1130.5) o EQ289
o TS3052 (1069.1) o EQ477
o TS3086 (1222.3) o EQ522
o TS3087 (1290.3) o EQ541
o TS3088 (1064.9) o DDC1047
o TS3089 (1072.6) o DDC1048
[ EQ485 ] C1 ENERGY= 1063.6 kJ/mol ( -377.9143762 Hartree)
Energy+ZPE= 1046.5 kJ/mol ZPE= 0.0430523
CONNECTIONS:
o TS620 (1077.4) o EQ51
o TS2448 (1066.2) o EQ343
o TS2615 (1075.8) o EQ375
o TS2969 (1069.7) o EQ458
o TS3042 (1074.8) o EQ474
o TS3090 (1242.5) o EQ533
o TS3091 (1181.5) o DDC1049
[ EQ486 ] C1 ENERGY= 1065.6 kJ/mol ( -377.9136162 Hartree)
Energy+ZPE= 1046.4 kJ/mol ZPE= 0.0422402
CONNECTIONS:
o TS514 (1108.7) o EQ45
o TS557 (1108.8) o EQ48
o TS2173 (1098.6) o EQ295
o TS2224 (1118.3) o EQ301
o TS2330 (1087.7) o EQ320
o TS2926 (1134.3) o EQ447
o TS3019 (1088.6) o EQ467
o TS3061 (1141.9) o EQ478
o TS3069 (1080.2) o EQ482
o TS3092 (1066.4) o EQ486
o TS3093 (1087.7) o EQ486
o TS3094 (1087.6) o EQ500
o TS3095 (1088.0) o EQ505
o TS3096 (1089.5) o EQ506
o TS3097 (1090.1) o EQ506
o TS3098 (1096.7) o EQ507
o TS3099 (1096.1) o DDC1050
o TS3100 (1228.9) o DDC1051
o TS3101 (1372.3) o DDC1052
[ EQ487 ] C1 ENERGY= 1065.8 kJ/mol ( -377.9135254 Hartree)
Energy+ZPE= 1039.5 kJ/mol ZPE= 0.0395125
CONNECTIONS:
o TS2427 (1071.1) o EQ341
o TS3102 (1067.3) o DDC1053
o TS3103 (1069.5) o DDC1054
o TS3104 (1075.4) o DDC1055
o TS3105 (1075.9) o DDC1056
[ EQ488 ] C1 ENERGY= 1066.0 kJ/mol ( -377.9134618 Hartree)
Energy+ZPE= 1039.6 kJ/mol ZPE= 0.0394744
CONNECTIONS:
o TS3106 (1066.9) o DDC1057
o TS3107 (1069.7) o DDC1058
o TS3108 (1074.8) o DDC1059
o TS3109 (1075.8) o DDC1060
[ EQ489 ] C1 ENERGY= 1069.0 kJ/mol ( -377.9123152 Hartree)
Energy+ZPE= 1047.4 kJ/mol ZPE= 0.0413184
CONNECTIONS:
o TS865 (1111.8) o EQ73
o TS1198 (1101.6) o EQ116
o TS1206 (1104.2) o EQ117
o TS1419 (1151.0) o EQ146
o TS2940 (1142.7) o EQ450
o TS3110 (1129.5) o EQ489
o TS3111 (1074.2) o EQ491
o TS3112 (1075.3) o EQ491
o TS3113 (1128.8) o EQ491
o TS3114 (1126.0) o DDC1061
o TS3115 (1166.2) o DDC1062
o TS3116 (1187.7) o DDC1063
o TS3117 (1195.9) o DDC1064
[ EQ490 ] C1 ENERGY= 1069.3 kJ/mol ( -377.9122029 Hartree)
Energy+ZPE= 1050.8 kJ/mol ZPE= 0.0425155
CONNECTIONS:
o TS529 (1123.3) o EQ46
o TS3118 (1168.4) o EQ490
o TS3119 (1239.9) o EQ526
o TS3120 (1070.6) o DDC1065
[ EQ491 ] C1 ENERGY= 1069.6 kJ/mol ( -377.9120933 Hartree)
Energy+ZPE= 1047.9 kJ/mol ZPE= 0.0412762
CONNECTIONS:
o TS1284 (1140.5) o EQ129
o TS1395 (1106.7) o EQ141
o TS2951 (1143.2) o EQ452
o TS3111 (1074.2) o EQ489
o TS3112 (1075.3) o EQ489
o TS3113 (1128.8) o EQ489
o TS3121 (1093.6) o EQ491
o TS3122 (1130.3) o EQ491
[ EQ492 ] C1 ENERGY= 1070.6 kJ/mol ( -377.9117225 Hartree)
Energy+ZPE= 1049.9 kJ/mol ZPE= 0.0416714
CONNECTIONS:
o TS1607 (1151.4) o EQ176
o TS3123 (1152.0) o EQ498
o TS3124 (1103.2) o EQ499
o TS3125 (1093.3) o EQ503
o TS3126 (1143.4) o EQ504
o TS3127 (1074.6) o DDC1066
o TS3128 (1124.8) o DDC1067
o TS3129 (1192.4) o DDC1068
o TS3130 (1205.5) o DDC1069
o UDC439 o
o UDC440 o
[ EQ493 ] C2 ENERGY= 1070.6 kJ/mol ( -377.9116985 Hartree)
Energy+ZPE= 1053.3 kJ/mol ZPE= 0.0429635
CONNECTIONS:
o TS2225 (1112.9) o EQ301
o TS3035 (1076.1) o EQ472
o TS3062 (1076.3) o EQ480
[ EQ494 ] Cs ENERGY= 1071.2 kJ/mol ( -377.9114875 Hartree)
Energy+ZPE= 1056.2 kJ/mol ZPE= 0.0438423
CONNECTIONS:
o TS2037 (1114.4) o EQ267
o TS2715 (1110.3) o EQ396
o TS2716 (1111.7) o EQ396
o TS3131 (1086.9) o EQ494
o TS3132 (1271.6) o DDC1070
[ EQ495 ] C1 ENERGY= 1071.6 kJ/mol ( -377.9113202 Hartree)
Energy+ZPE= 1048.9 kJ/mol ZPE= 0.0409133
CONNECTIONS:
o TS664 (1134.4) o EQ56
o TS1025 (1136.1) o EQ90
o TS2886 (1168.0) o EQ438
o TS3076 (1074.7) o EQ483
o TS3077 (1076.7) o EQ483
o TS3133 (1076.1) o EQ495
o TS3134 (1088.4) o EQ495
o TS3135 (1211.4) o EQ502
[ EQ496 ] Cs ENERGY= 1072.9 kJ/mol ( -377.9108359 Hartree)
Energy+ZPE= 1055.6 kJ/mol ZPE= 0.0429396
CONNECTIONS:
o TS2226 (1116.8) o EQ301
o TS3048 (1076.8) o EQ475
o TS3049 (1079.6) o EQ476
[ EQ497 ] C1 ENERGY= 1078.7 kJ/mol ( -377.9086151 Hartree)
Energy+ZPE= 1058.9 kJ/mol ZPE= 0.0419988
CONNECTIONS:
o TS3136 (1093.5) o EQ498
o TS3137 (1147.4) o EQ499
o TS3138 (1089.3) o EQ504
o TS3139 (1088.9) o DDC1071
o TS3140 (1131.2) o DDC1072
o TS3141 (1138.9) o DDC1073
o TS3142 (1179.2) o DDC1074
o TS3143 (1217.4) o DDC1075
[ EQ498 ] C1 ENERGY= 1079.5 kJ/mol ( -377.9083352 Hartree)
Energy+ZPE= 1059.4 kJ/mol ZPE= 0.0418926
CONNECTIONS:
o TS807 (1096.1) o EQ70
o TS2511 (1198.3) o EQ354
o TS2522 (1156.6) o EQ355
o TS3123 (1152.0) o EQ492
o TS3136 (1093.5) o EQ497
o TS3144 (1112.1) o EQ498
o TS3145 (1145.4) o EQ503
o TS3146 (1209.8) o EQ515
o TS3147 (1143.4) o DDC1076
o TS3148 (1194.1) o DDC1077
o TS3149 (1234.3) o DDC1078
[ EQ499 ] C1 ENERGY= 1079.5 kJ/mol ( -377.9083294 Hartree)
Energy+ZPE= 1059.7 kJ/mol ZPE= 0.0420061
CONNECTIONS:
o TS438 (1200.4) o EQ42
o TS587 (1084.1) o EQ49
o TS588 (1087.9) o EQ49
o TS1648 (1364.7) o EQ182
o TS3124 (1103.2) o EQ492
o TS3137 (1147.4) o EQ497
o TS3150 (1086.4) o EQ502
o TS3151 (1152.0) o DDC1079
[ EQ500 ] C1 ENERGY= 1079.6 kJ/mol ( -377.9082853 Hartree)
Energy+ZPE= 1056.1 kJ/mol ZPE= 0.0405907
CONNECTIONS:
o TS408 (1118.8) o EQ40
o TS2317 (1325.0) o EQ316
o TS3040 (1085.1) o EQ473
o TS3094 (1087.6) o EQ486
o TS3152 (1079.7) o EQ500
o TS3153 (1093.9) o DDC1080
o TS3154 (1239.4) o DDC1081
o UDC441 o
[ EQ501 ] C1 ENERGY= 1079.7 kJ/mol ( -377.9082370 Hartree)
Energy+ZPE= 1057.2 kJ/mol ZPE= 0.0409801
CONNECTIONS:
o TS3020 (1080.1) o EQ467
o TS3021 (1100.3) o EQ467
o TS3031 (1144.8) o EQ470
o TS3070 (1091.7) o EQ482
o TS3155 (1114.3) o EQ505
[ EQ502 ] C1 ENERGY= 1081.1 kJ/mol ( -377.9077005 Hartree)
Energy+ZPE= 1060.6 kJ/mol ZPE= 0.0417303
CONNECTIONS:
o TS544 (1083.1) o EQ47
o TS3135 (1211.4) o EQ495
o TS3150 (1086.4) o EQ499
o TS3156 (1082.9) o EQ503
[ EQ503 ] C1 ENERGY= 1081.4 kJ/mol ( -377.9075924 Hartree)
Energy+ZPE= 1061.7 kJ/mol ZPE= 0.0420270
CONNECTIONS:
o TS2561 (1211.3) o EQ363
o TS2567 (1159.7) o EQ364
o TS3125 (1093.3) o EQ492
o TS3145 (1145.4) o EQ498
o TS3156 (1082.9) o EQ502
o TS3157 (1109.1) o EQ503
o TS3158 (1147.0) o DDC1082
o TS3159 (1155.1) o DDC1083
o TS3160 (1214.2) o DDC1084
[ EQ504 ] C1 ENERGY= 1081.5 kJ/mol ( -377.9075498 Hartree)
Energy+ZPE= 1062.1 kJ/mol ZPE= 0.0421686
CONNECTIONS:
o TS773 (1083.7) o EQ67
o TS808 (1088.4) o EQ70
o TS2568 (1212.3) o EQ364
o TS3126 (1143.4) o EQ492
o TS3138 (1089.3) o EQ497
o TS3161 (1156.3) o DDC1085
o TS3162 (1157.2) o DDC1086
[ EQ505 ] C1 ENERGY= 1083.8 kJ/mol ( -377.9066707 Hartree)
Energy+ZPE= 1060.9 kJ/mol ZPE= 0.0408180
CONNECTIONS:
o TS399 (1306.4) o EQ39
o TS2227 (1121.9) o EQ301
o TS2626 (1186.2) o EQ376
o TS3022 (1086.2) o EQ467
o TS3023 (1112.3) o EQ467
o TS3071 (1087.6) o EQ482
o TS3095 (1088.0) o EQ486
o TS3155 (1114.3) o EQ501
o TS3163 (1157.8) o EQ518
o TS3164 (1098.4) o DDC1087
o TS3908 (1086.2) o xx
o UDC442 o
[ EQ506 ] C1 ENERGY= 1085.3 kJ/mol ( -377.9061051 Hartree)
Energy+ZPE= 1064.6 kJ/mol ZPE= 0.0416801
CONNECTIONS:
o TS2174 (1122.2) o EQ295
o TS3096 (1089.5) o EQ486
o TS3097 (1090.1) o EQ486
o TS3165 (1087.2) o EQ506
o TS3166 (1238.0) o DDC1088
[ EQ507 ] C1 ENERGY= 1096.6 kJ/mol ( -377.9018134 Hartree)
Energy+ZPE= 1075.5 kJ/mol ZPE= 0.0415239
CONNECTIONS:
o TS2228 (1104.1) o EQ301
o TS2229 (1112.8) o EQ301
o TS3098 (1096.7) o EQ486
o TS3167 (1102.6) o EQ507
[ EQ508 ] C1 ENERGY= 1105.2 kJ/mol ( -377.8985263 Hartree)
Energy+ZPE= 1091.2 kJ/mol ZPE= 0.0442225
CONNECTIONS:
o TS1100 (1164.4) o EQ103
o TS2331 (1151.9) o EQ320
o TS2606 (1225.4) o EQ374
o TS2899 (1210.3) o EQ440
o TS3168 (1163.7) o EQ508
o TS3169 (1137.3) o DDC1089
o TS3170 (1146.8) o DDC1090
o TS3171 (1174.2) o DDC1091
o TS3172 (1374.7) o DDC1092
o UDC443 o
[ EQ509 ] C1 ENERGY= 1137.0 kJ/mol ( -377.8864120 Hartree)
Energy+ZPE= 1118.6 kJ/mol ZPE= 0.0425425
CONNECTIONS:
o TS774 (1144.7) o EQ67
o TS2662 (1146.0) o EQ386
o TS2692 (1264.9) o EQ392
o TS2802 (1137.1) o EQ419
o TS2934 (1201.1) o EQ449
o TS3173 (1286.7) o EQ546
o UDC444 o
[ EQ510 ] C1 ENERGY= 1141.0 kJ/mol ( -377.8848952 Hartree)
Energy+ZPE= 1121.0 kJ/mol ZPE= 0.0419154
CONNECTIONS:
o TS2301 (1206.3) o EQ312
o TS2493 (1154.2) o EQ352
o TS2494 (1162.2) o EQ352
o TS2495 (1169.1) o EQ352
o TS2496 (1169.7) o EQ352
o TS3050 (1153.4) o EQ476
o TS3174 (1145.6) o EQ511
o TS3175 (1156.8) o EQ511
o TS3176 (1157.2) o EQ511
o TS3177 (1153.3) o EQ516
o TS3178 (1344.8) o EQ535
o TS3179 (1398.1) o EQ552
o TS3180 (1308.2) o EQ556
o TS3181 (1386.6) o EQ556
o TS3182 (1426.0) o EQ578
o TS3183 (1451.1) o EQ578
o TS3184 (1441.5) o EQ579
o TS3185 (1453.6) o EQ579
o TS3186 (1236.7) o DDC1093
o TS3187 (1272.0) o DDC1094
o TS3188 (1277.3) o DDC1095
o TS3909 (1158.2) o xx
o TS3910 (1323.7) o xx
o UDC445 o
[ EQ511 ] C1 ENERGY= 1141.2 kJ/mol ( -377.8848367 Hartree)
Energy+ZPE= 1121.2 kJ/mol ZPE= 0.0419122
CONNECTIONS:
o TS1212 (1319.0) o EQ118
o TS2260 (1177.6) o EQ307
o TS2497 (1154.5) o EQ352
o TS2498 (1156.4) o EQ352
o TS2499 (1167.6) o EQ352
o TS3063 (1151.7) o EQ480
o TS3174 (1145.6) o EQ510
o TS3175 (1156.8) o EQ510
o TS3176 (1157.2) o EQ510
o TS3189 (1377.0) o EQ548
o TS3190 (1443.4) o EQ578
o TS3191 (1444.6) o EQ578
o TS3192 (1425.7) o EQ579
o TS3193 (1445.5) o EQ579
o TS3194 (1236.2) o DDC1096
o TS3195 (1398.7) o DDC1097
o TS3196 (1543.8) o DDC1098
[ EQ512 ] C1 ENERGY= 1144.8 kJ/mol ( -377.8834461 Hartree)
Energy+ZPE= 1129.9 kJ/mol ZPE= 0.0438557
CONNECTIONS:
o TS605 (1243.0) o EQ50
o TS1611 (1255.8) o EQ177
o TS2449 (1207.4) o EQ343
o TS2954 (1249.6) o EQ454
o TS2970 (1244.3) o EQ458
o TS3009 (1187.4) o EQ464
o TS3025 (1196.2) o EQ468
o TS3197 (1145.3) o EQ512
o TS3198 (1177.6) o EQ523
o TS3199 (1300.7) o EQ535
o TS3200 (1330.0) o EQ542
o TS3201 (1202.8) o DDC1099
o TS3202 (1235.3) o DDC1100
o TS3203 (1246.8) o DDC1101
o TS3204 (1289.7) o DDC1102
o TS3205 (1451.9) o DDC1103
[ EQ513 ] C1 ENERGY= 1145.6 kJ/mol ( -377.8831439 Hartree)
Energy+ZPE= 1120.0 kJ/mol ZPE= 0.0397978
CONNECTIONS:
o TS3206 (1151.9) o EQ517
o TS3207 (1156.1) o DDC1104
o TS3208 (1174.7) o DDC1105
[ EQ514 ] C1 ENERGY= 1147.8 kJ/mol ( -377.8823067 Hartree)
Energy+ZPE= 1122.1 kJ/mol ZPE= 0.0397441
CONNECTIONS:
o TS2569 (1199.5) o EQ364
o TS3209 (1151.7) o EQ515
o TS3210 (1163.0) o EQ521
o TS3211 (1157.9) o DDC1106
o TS3212 (1160.1) o DDC1107
o TS3213 (1175.5) o DDC1108
o TS3214 (1180.3) o DDC1109
o TS3215 (1309.5) o DDC1110
[ EQ515 ] C1 ENERGY= 1149.6 kJ/mol ( -377.8816230 Hartree)
Energy+ZPE= 1123.9 kJ/mol ZPE= 0.0397715
CONNECTIONS:
o TS2512 (1195.3) o EQ354
o TS3146 (1209.8) o EQ498
o TS3209 (1151.7) o EQ514
[ EQ516 ] C1 ENERGY= 1151.5 kJ/mol ( -377.8809144 Hartree)
Energy+ZPE= 1134.5 kJ/mol ZPE= 0.0430812
CONNECTIONS:
o TS2413 (1314.3) o EQ339
o TS3036 (1323.8) o EQ472
o TS3177 (1153.3) o EQ510
o TS3216 (1187.7) o DDC1111
o TS3217 (1225.3) o DDC1112
o TS3218 (1239.1) o DDC1113
[ EQ517 ] C1 ENERGY= 1151.5 kJ/mol ( -377.8808974 Hartree)
Energy+ZPE= 1125.5 kJ/mol ZPE= 0.0396484
CONNECTIONS:
o TS3206 (1151.9) o EQ513
[ EQ518 ] C1 ENERGY= 1156.9 kJ/mol ( -377.8788326 Hartree)
Energy+ZPE= 1131.8 kJ/mol ZPE= 0.0399983
CONNECTIONS:
o TS2747 (1159.1) o EQ405
o TS3041 (1157.4) o EQ473
o TS3163 (1157.8) o EQ505
[ EQ519 ] C1 ENERGY= 1157.1 kJ/mol ( -377.8787723 Hartree)
Energy+ZPE= 1139.5 kJ/mol ZPE= 0.0428361
CONNECTIONS:
o TS2373 (1239.0) o EQ329
o TS3053 (1203.1) o EQ477
o TS3054 (1209.5) o EQ477
o TS3219 (1160.4) o EQ519
o TS3220 (1170.0) o EQ522
o TS3221 (1369.2) o EQ566
o TS3222 (1168.4) o DDC1114
o TS3223 (1212.2) o DDC1115
o TS3224 (1219.7) o DDC1116
o TS3225 (1255.0) o DDC1117
[ EQ520 ] C1 ENERGY= 1158.4 kJ/mol ( -377.8782804 Hartree)
Energy+ZPE= 1143.4 kJ/mol ZPE= 0.0438448
CONNECTIONS:
o TS1445 (1249.3) o EQ150
o TS2450 (1323.6) o EQ343
o TS2616 (1230.8) o EQ375
o TS2731 (1192.1) o EQ400
o TS2917 (1307.4) o EQ445
o TS2971 (1215.1) o EQ458
o TS3043 (1212.7) o EQ474
o TS3226 (1168.4) o EQ520
o TS3227 (1196.5) o EQ533
o TS3228 (1317.4) o EQ546
o TS3229 (1331.4) o EQ548
o TS3230 (1470.9) o DDC1118
o UDC446 o
[ EQ521 ] C1 ENERGY= 1159.4 kJ/mol ( -377.8779021 Hartree)
Energy+ZPE= 1133.3 kJ/mol ZPE= 0.0396237
CONNECTIONS:
o TS2574 (1204.9) o EQ365
o TS3210 (1163.0) o EQ514
o TS3231 (1162.6) o EQ521
o TS3232 (1173.8) o DDC1119
o TS3233 (1181.1) o DDC1120
[ EQ522 ] Cs ENERGY= 1164.5 kJ/mol ( -377.8759486 Hartree)
Energy+ZPE= 1147.4 kJ/mol ZPE= 0.0430383
CONNECTIONS:
o TS295 (1398.6) o EQ31
o TS1252 (1312.8) o EQ127
o TS3086 (1222.3) o EQ484
o TS3220 (1170.0) o EQ519
o TS3234 (1391.2) o EQ541
o TS3235 (1244.4) o DDC1121
o TS3236 (1263.9) o DDC1122
o UDC447 o
o UDC448 o
[ EQ523 ] C1 ENERGY= 1177.6 kJ/mol ( -377.8709670 Hartree)
Energy+ZPE= 1163.1 kJ/mol ZPE= 0.0440150
CONNECTIONS:
o TS2482 (1273.0) o EQ351
o TS3198 (1177.6) o EQ512
o TS3237 (1317.7) o DDC1123
o TS3238 (1324.6) o DDC1124
o UDC449 o
o UDC450 o
[ EQ524 ] C1 ENERGY= 1179.5 kJ/mol ( -377.8702153 Hartree)
Energy+ZPE= 1154.7 kJ/mol ZPE= 0.0401049
CONNECTIONS:
o TS3239 (1183.0) o EQ527
o TS3240 (1190.2) o EQ527
o TS3241 (1229.5) o EQ529
o TS3242 (1187.1) o DDC1125
o TS3243 (1204.7) o DDC1126
[ EQ525 ] C1 ENERGY= 1182.7 kJ/mol ( -377.8690273 Hartree)
Energy+ZPE= 1163.3 kJ/mol ZPE= 0.0421600
CONNECTIONS:
o TS337 (1286.0) o EQ33
o TS3055 (1272.2) o EQ477
o TS3244 (1182.8) o EQ526
o TS3245 (1225.6) o DDC1127
[ EQ526 ] C1 ENERGY= 1182.7 kJ/mol ( -377.8690200 Hartree)
Energy+ZPE= 1163.7 kJ/mol ZPE= 0.0423140
CONNECTIONS:
o TS338 (1302.5) o EQ33
o TS3119 (1239.9) o EQ490
o TS3244 (1182.8) o EQ525
o TS3246 (1213.6) o EQ541
o TS3247 (1194.0) o DDC1128
o TS3248 (1229.8) o DDC1129
o TS3249 (1231.5) o DDC1130
[ EQ527 ] C1 ENERGY= 1182.8 kJ/mol ( -377.8689796 Hartree)
Energy+ZPE= 1156.5 kJ/mol ZPE= 0.0395349
CONNECTIONS:
o TS3239 (1183.0) o EQ524
o TS3240 (1190.2) o EQ524
o TS3250 (1187.6) o DDC1131
o TS3251 (1189.1) o DDC1132
o TS3252 (1318.3) o DDC1133
[ EQ528 ] C1 ENERGY= 1184.4 kJ/mol ( -377.8683529 Hartree)
Energy+ZPE= 1157.9 kJ/mol ZPE= 0.0394696
CONNECTIONS:
o TS2562 (1195.0) o EQ363
o TS3253 (1187.4) o EQ529
o TS3254 (1190.4) o EQ529
o TS3255 (1199.1) o EQ537
o TS3256 (1188.2) o DDC1134
o TS3257 (1361.0) o DDC1135
[ EQ529 ] C1 ENERGY= 1184.9 kJ/mol ( -377.8681664 Hartree)
Energy+ZPE= 1158.5 kJ/mol ZPE= 0.0395108
CONNECTIONS:
o TS2871 (1198.5) o EQ435
o TS3241 (1229.5) o EQ524
o TS3253 (1187.4) o EQ528
o TS3254 (1190.4) o EQ528
o TS3258 (1189.0) o DDC1136
o TS3259 (1324.9) o DDC1137
o TS3260 (1353.3) o DDC1138
[ EQ530 ] C1 ENERGY= 1185.9 kJ/mol ( -377.8678091 Hartree)
Energy+ZPE= 1167.0 kJ/mol ZPE= 0.0423395
CONNECTIONS:
o TS2550 (1262.6) o EQ360
o TS2663 (1493.2) o EQ386
o TS2693 (1198.4) o EQ392
o TS2694 (1456.4) o EQ392
o TS2748 (1236.2) o EQ405
o TS2755 (1217.4) o EQ406
o TS2777 (1209.1) o EQ411
o TS2927 (1199.5) o EQ447
o TS3261 (1216.4) o EQ531
o TS3262 (1280.8) o EQ532
o TS3263 (1194.7) o EQ534
o TS3264 (1307.3) o EQ546
o UDC451 o
[ EQ531 ] C1 ENERGY= 1186.8 kJ/mol ( -377.8674562 Hartree)
Energy+ZPE= 1168.3 kJ/mol ZPE= 0.0424847
CONNECTIONS:
o TS1213 (1203.0) o EQ118
o TS2767 (1205.6) o EQ409
o TS2768 (1238.9) o EQ409
o TS2774 (1232.1) o EQ410
o TS2918 (1229.6) o EQ445
o TS2919 (1229.9) o EQ445
o TS3261 (1216.4) o EQ530
o TS3265 (1192.7) o EQ532
o TS3266 (1272.2) o EQ534
o TS3267 (1272.8) o EQ544
o UDC452 o
o UDC453 o
[ EQ532 ] C1 ENERGY= 1187.3 kJ/mol ( -377.8672637 Hartree)
Energy+ZPE= 1168.3 kJ/mol ZPE= 0.0423144
CONNECTIONS:
o TS2451 (1197.3) o EQ343
o TS2540 (1264.3) o EQ358
o TS2756 (1209.3) o EQ406
o TS2778 (1213.1) o EQ411
o TS2928 (1205.1) o EQ447
o TS2935 (1236.9) o EQ449
o TS3262 (1280.8) o EQ530
o TS3265 (1192.7) o EQ531
o TS3268 (1208.4) o DDC1139
o TS3269 (1254.9) o DDC1140
[ EQ533 ] Cs ENERGY= 1189.3 kJ/mol ( -377.8664951 Hartree)
Energy+ZPE= 1171.7 kJ/mol ZPE= 0.0428392
CONNECTIONS:
o TS2617 (1241.7) o EQ375
o TS2955 (1303.0) o EQ454
o TS3010 (1272.2) o EQ464
o TS3090 (1242.5) o EQ485
o TS3227 (1196.5) o EQ520
o TS3270 (1283.8) o DDC1141
o UDC454 o
[ EQ534 ] C1 ENERGY= 1190.0 kJ/mol ( -377.8662223 Hartree)
Energy+ZPE= 1171.4 kJ/mol ZPE= 0.0424617
CONNECTIONS:
o TS2769 (1231.0) o EQ409
o TS2775 (1207.4) o EQ410
o TS2920 (1234.7) o EQ445
o TS2921 (1236.2) o EQ445
o TS2929 (1206.7) o EQ447
o TS3263 (1194.7) o EQ530
o TS3266 (1272.2) o EQ531
o TS3271 (1274.0) o EQ545
o UDC455 o
[ EQ535 ] Cs ENERGY= 1192.8 kJ/mol ( -377.8651739 Hartree)
Energy+ZPE= 1177.1 kJ/mol ZPE= 0.0435592
CONNECTIONS:
o TS2541 (1292.6) o EQ358
o TS2664 (1230.2) o EQ386
o TS2665 (1258.0) o EQ386
o TS2732 (1340.3) o EQ400
o TS3178 (1344.8) o EQ510
o TS3199 (1300.7) o EQ512
o TS3272 (1359.7) o EQ540
o TS3273 (1258.3) o EQ542
o TS3274 (1295.5) o DDC1142
[ EQ536 ] C1 ENERGY= 1193.8 kJ/mol ( -377.8647818 Hartree)
Energy+ZPE= 1174.2 kJ/mol ZPE= 0.0420722
CONNECTIONS:
o TS2900 (1194.5) o EQ440
o TS2901 (1206.4) o EQ440
o TS3275 (1200.4) o DDC1143
o TS3276 (1209.3) o DDC1144
o TS3277 (1219.9) o DDC1145
o TS3278 (1231.1) o DDC1146
[ EQ537 ] C1 ENERGY= 1199.1 kJ/mol ( -377.8627699 Hartree)
Energy+ZPE= 1171.8 kJ/mol ZPE= 0.0391324
CONNECTIONS:
o TS2853 (1199.3) o EQ431
o TS3255 (1199.1) o EQ528
o TS3279 (1232.9) o DDC1147
[ EQ538 ] C1 ENERGY= 1201.8 kJ/mol ( -377.8617431 Hartree)
Energy+ZPE= 1176.9 kJ/mol ZPE= 0.0400549
CONNECTIONS:
o TS2812 (1202.5) o EQ421
o TS3280 (1218.5) o EQ539
o TS3281 (1206.1) o DDC1148
o TS3282 (1208.6) o DDC1149
[ EQ539 ] C1 ENERGY= 1202.5 kJ/mol ( -377.8614592 Hartree)
Energy+ZPE= 1177.6 kJ/mol ZPE= 0.0400600
CONNECTIONS:
o TS2230 (1203.3) o EQ301
o TS2872 (1210.6) o EQ435
o TS3280 (1218.5) o EQ538
o TS3283 (1205.9) o DDC1150
o TS3284 (1210.0) o DDC1151
o TS3285 (1232.1) o DDC1152
o UDC456 o
[ EQ540 ] C1 ENERGY= 1206.9 kJ/mol ( -377.8597854 Hartree)
Energy+ZPE= 1190.6 kJ/mol ZPE= 0.0433208
CONNECTIONS:
o TS2231 (1250.8) o EQ301
o TS2232 (1292.0) o EQ301
o TS2945 (1207.4) o EQ451
o TS3272 (1359.7) o EQ535
o TS3286 (1210.2) o EQ540
o TS3287 (1290.6) o DDC1153
o TS3288 (1397.6) o DDC1154
[ EQ541 ] Cs ENERGY= 1209.5 kJ/mol ( -377.8588082 Hartree)
Energy+ZPE= 1190.2 kJ/mol ZPE= 0.0422038
CONNECTIONS:
o TS3087 (1290.3) o EQ484
o TS3234 (1391.2) o EQ522
o TS3246 (1213.6) o EQ526
o TS3289 (1264.3) o DDC1155
o TS3290 (1377.6) o DDC1156
o UDC457 o
[ EQ542 ] Cs ENERGY= 1212.0 kJ/mol ( -377.8578407 Hartree)
Energy+ZPE= 1196.2 kJ/mol ZPE= 0.0435178
CONNECTIONS:
o TS2607 (1304.3) o EQ374
o TS2608 (1355.1) o EQ374
o TS2695 (1271.8) o EQ392
o TS2696 (1278.3) o EQ392
o TS2793 (1363.8) o EQ415
o TS2803 (1266.0) o EQ419
o TS3200 (1330.0) o EQ512
o TS3273 (1258.3) o EQ535
o TS3291 (1356.2) o EQ548
o TS3292 (1294.9) o DDC1157
o TS3293 (1364.0) o DDC1158
o UDC458 o
[ EQ543 ] C1 ENERGY= 1216.3 kJ/mol ( -377.8562272 Hartree)
Energy+ZPE= 1195.1 kJ/mol ZPE= 0.0414558
CONNECTIONS:
o TS3064 (1217.9) o EQ480
o TS3294 (1257.1) o EQ547
[ EQ544 ] C1 ENERGY= 1225.5 kJ/mol ( -377.8527249 Hartree)
Energy+ZPE= 1204.3 kJ/mol ZPE= 0.0414613
CONNECTIONS:
o TS3267 (1272.8) o EQ531
o TS3295 (1250.1) o EQ549
o TS3296 (1235.5) o DDC1159
o TS3297 (1241.4) o DDC1160
o TS3298 (1243.2) o DDC1161
o TS3299 (1246.0) o DDC1162
[ EQ545 ] C1 ENERGY= 1226.9 kJ/mol ( -377.8521643 Hartree)
Energy+ZPE= 1205.7 kJ/mol ZPE= 0.0414755
CONNECTIONS:
o TS3271 (1274.0) o EQ534
o TS3300 (1240.4) o EQ549
o TS3301 (1250.3) o EQ550
o TS3302 (1233.1) o DDC1163
o TS3303 (1243.0) o DDC1164
o TS3304 (1243.5) o DDC1165
o TS3305 (1260.3) o DDC1166
[ EQ546 ] C1 ENERGY= 1237.7 kJ/mol ( -377.8480708 Hartree)
Energy+ZPE= 1220.0 kJ/mol ZPE= 0.0428237
CONNECTIONS:
o TS2804 (1282.9) o EQ419
o TS2805 (1299.2) o EQ419
o TS2806 (1300.2) o EQ419
o TS3173 (1286.7) o EQ509
o TS3228 (1317.4) o EQ520
o TS3264 (1307.3) o EQ530
o TS3306 (1238.7) o EQ546
o TS3307 (1286.9) o EQ548
o TS3308 (1369.3) o DDC1167
o UDC459 o
o UDC460 o
[ EQ547 ] C1 ENERGY= 1238.8 kJ/mol ( -377.8476399 Hartree)
Energy+ZPE= 1219.8 kJ/mol ZPE= 0.0423076
CONNECTIONS:
o TS1396 (1372.5) o EQ141
o TS2985 (1331.4) o EQ460
o TS3004 (1271.8) o EQ463
o TS3065 (1368.1) o EQ480
o TS3294 (1257.1) o EQ543
o TS3309 (1272.7) o EQ551
o TS3310 (1274.6) o EQ552
o TS3311 (1297.0) o EQ556
o TS3312 (1297.0) o EQ556
o TS3313 (1308.2) o EQ559
o TS3314 (1279.2) o DDC1168
o TS3315 (1305.2) o DDC1169
o UDC461 o
[ EQ548 ] Cs ENERGY= 1239.0 kJ/mol ( -377.8475652 Hartree)
Energy+ZPE= 1220.3 kJ/mol ZPE= 0.0424262
CONNECTIONS:
o TS2551 (1356.5) o EQ360
o TS2666 (1288.1) o EQ386
o TS2667 (1297.8) o EQ386
o TS2787 (1296.0) o EQ414
o TS2956 (1404.1) o EQ454
o TS3189 (1377.0) o EQ511
o TS3229 (1331.4) o EQ520
o TS3291 (1356.2) o EQ542
o TS3307 (1286.9) o EQ546
o TS3316 (1384.7) o DDC1170
o UDC462 o
[ EQ549 ] C1 ENERGY= 1240.4 kJ/mol ( -377.8470560 Hartree)
Energy+ZPE= 1213.4 kJ/mol ZPE= 0.0392592
CONNECTIONS:
o TS2757 (1241.6) o EQ406
o TS3295 (1250.1) o EQ544
o TS3300 (1240.4) o EQ545
o TS3911 (1245.8) o xx
[ EQ550 ] C1 ENERGY= 1240.9 kJ/mol ( -377.8468320 Hartree)
Energy+ZPE= 1213.7 kJ/mol ZPE= 0.0391866
CONNECTIONS:
o TS2779 (1242.2) o EQ411
o TS3301 (1250.3) o EQ545
o TS3317 (1245.7) o EQ550
o TS3318 (1241.3) o DDC1171
[ EQ551 ] C1 ENERGY= 1244.1 kJ/mol ( -377.8456306 Hartree)
Energy+ZPE= 1224.3 kJ/mol ZPE= 0.0420247
CONNECTIONS:
o TS3000 (1280.4) o EQ461
o TS3309 (1272.7) o EQ547
o TS3319 (1251.6) o EQ552
o TS3320 (1281.7) o DDC1172
[ EQ552 ] C1 ENERGY= 1250.8 kJ/mol ( -377.8430744 Hartree)
Energy+ZPE= 1231.7 kJ/mol ZPE= 0.0422577
CONNECTIONS:
o TS2986 (1278.7) o EQ460
o TS3179 (1398.1) o EQ510
o TS3310 (1274.6) o EQ547
o TS3319 (1251.6) o EQ551
o TS3321 (1284.8) o EQ555
o TS3322 (1323.5) o EQ555
o TS3323 (1258.8) o DDC1173
o TS3324 (1324.8) o DDC1174
o TS3325 (1379.9) o DDC1175
[ EQ553 ] C1 ENERGY= 1255.8 kJ/mol ( -377.8411726 Hartree)
Energy+ZPE= 1231.0 kJ/mol ZPE= 0.0400956
CONNECTIONS:
o TS3326 (1259.5) o DDC1176
o TS3327 (1262.2) o DDC1177
o TS3328 (1317.1) o DDC1178
[ EQ554 ] C1 ENERGY= 1261.6 kJ/mol ( -377.8389681 Hartree)
Energy+ZPE= 1235.4 kJ/mol ZPE= 0.0395643
CONNECTIONS:
o TS3329 (1522.2) o EQ554
o TS3330 (1263.1) o DDC1179
o TS3331 (1263.3) o DDC1180
o TS3332 (1309.6) o DDC1181
o TS3333 (1327.1) o DDC1182
[ EQ555 ] C1 ENERGY= 1284.4 kJ/mol ( -377.8302840 Hartree)
Energy+ZPE= 1261.8 kJ/mol ZPE= 0.0409204
CONNECTIONS:
o TS2987 (1302.8) o EQ460
o TS3321 (1284.8) o EQ552
o TS3322 (1323.5) o EQ552
o TS3334 (1330.4) o EQ556
o TS3335 (1308.8) o EQ559
o TS3336 (1289.2) o DDC1183
o TS3337 (1298.0) o DDC1184
o TS3338 (1302.6) o DDC1185
o TS3339 (1333.5) o DDC1186
o UDC463 o
o UDC464 o
[ EQ556 ] C1 ENERGY= 1292.5 kJ/mol ( -377.8272061 Hartree)
Energy+ZPE= 1270.1 kJ/mol ZPE= 0.0410206
CONNECTIONS:
o TS2988 (1340.3) o EQ460
o TS3001 (1307.4) o EQ461
o TS3180 (1308.2) o EQ510
o TS3181 (1386.6) o EQ510
o TS3311 (1297.0) o EQ547
o TS3312 (1297.0) o EQ547
o TS3334 (1330.4) o EQ555
o TS3340 (1316.5) o EQ563
o TS3341 (1300.1) o DDC1187
o TS3342 (1300.7) o DDC1188
o UDC465 o
o UDC466 o
[ EQ557 ] C1 ENERGY= 1300.5 kJ/mol ( -377.8241648 Hartree)
Energy+ZPE= 1274.5 kJ/mol ZPE= 0.0396296
CONNECTIONS:
o TS3343 (1300.6) o DDC1189
o TS3344 (1306.9) o DDC1190
o TS3345 (1318.8) o DDC1191
[ EQ558 ] Cs ENERGY= 1302.0 kJ/mol ( -377.8235758 Hartree)
Energy+ZPE= 1281.5 kJ/mol ZPE= 0.0417484
CONNECTIONS:
o TS1046 (1324.2) o EQ94
o TS3346 (1387.8) o EQ570
o TS3347 (1435.9) o EQ571
o TS3348 (1362.6) o DDC1192
o TS3349 (1376.7) o DDC1193
o TS3350 (1378.4) o DDC1194
o TS3351 (1419.8) o DDC1195
o TS3352 (1446.1) o DDC1196
o UDC467 o
o UDC468 o
o UDC469 o
o UDC470 o
[ EQ559 ] C1 ENERGY= 1303.7 kJ/mol ( -377.8229137 Hartree)
Energy+ZPE= 1285.5 kJ/mol ZPE= 0.0426079
CONNECTIONS:
o TS992 (1326.7) o EQ86
o TS2414 (1306.8) o EQ339
o TS2957 (1366.4) o EQ454
o TS3051 (1319.5) o EQ476
o TS3313 (1308.2) o EQ547
o TS3335 (1308.8) o EQ555
o TS3353 (1316.7) o EQ563
o TS3354 (1467.8) o EQ578
[ EQ560 ] Cs ENERGY= 1304.4 kJ/mol ( -377.8226674 Hartree)
Energy+ZPE= 1276.6 kJ/mol ZPE= 0.0389544
CONNECTIONS:
o TS1483 (1346.5) o EQ155
o TS3355 (1339.0) o EQ561
o TS3356 (1388.2) o EQ568
o TS3357 (1458.0) o EQ580
o TS3358 (1314.4) o DDC1197
o TS3359 (1322.7) o DDC1198
o TS3360 (1331.2) o DDC1199
o TS3361 (1345.2) o DDC1200
[ EQ561 ] Cs ENERGY= 1310.6 kJ/mol ( -377.8202889 Hartree)
Energy+ZPE= 1282.2 kJ/mol ZPE= 0.0387404
CONNECTIONS:
o TS1631 (1377.6) o EQ179
o TS2428 (1350.7) o EQ341
o TS3355 (1339.0) o EQ560
o TS3362 (1325.3) o EQ567
o TS3363 (1392.4) o EQ569
o TS3364 (1323.1) o DDC1201
o TS3365 (1323.2) o DDC1202
o TS3366 (1336.4) o DDC1203
o TS3367 (1336.7) o DDC1204
o TS3368 (1349.4) o DDC1205
o TS3369 (1352.0) o DDC1206
[ EQ562 ] C1 ENERGY= 1311.4 kJ/mol ( -377.8199831 Hartree)
Energy+ZPE= 1289.6 kJ/mol ZPE= 0.0412478
CONNECTIONS:
o TS296 (1406.7) o EQ31
o TS1005 (1357.1) o EQ87
o TS1047 (1362.6) o EQ94
o TS1923 (1459.0) o EQ244
o TS2630 (1363.0) o EQ377
o TS2631 (1370.1) o EQ377
o TS3370 (1320.9) o EQ562
o TS3371 (1325.4) o EQ566
o TS3372 (1330.4) o DDC1207
o UDC471 o
[ EQ563 ] C1 ENERGY= 1311.6 kJ/mol ( -377.8199362 Hartree)
Energy+ZPE= 1292.7 kJ/mol ZPE= 0.0423487
CONNECTIONS:
o TS993 (1330.7) o EQ86
o TS2415 (1313.8) o EQ339
o TS2958 (1369.6) o EQ454
o TS3066 (1325.3) o EQ480
o TS3340 (1316.5) o EQ556
o TS3353 (1316.7) o EQ559
o TS3373 (1465.5) o EQ579
[ EQ564 ] Cs ENERGY= 1315.3 kJ/mol ( -377.8185028 Hartree)
Energy+ZPE= 1291.0 kJ/mol ZPE= 0.0402872
CONNECTIONS:
o TS3374 (1324.6) o EQ565
o TS3375 (1320.9) o DDC1208
o TS3376 (1336.6) o DDC1209
o TS3377 (1357.3) o DDC1210
o UDC472 o
[ EQ565 ] Cs ENERGY= 1317.6 kJ/mol ( -377.8176404 Hartree)
Energy+ZPE= 1294.0 kJ/mol ZPE= 0.0405540
CONNECTIONS:
o TS1994 (1461.5) o EQ256
o TS3374 (1324.6) o EQ564
o TS3378 (1480.6) o EQ571
o TS3379 (1322.3) o DDC1211
o TS3380 (1345.6) o DDC1212
o TS3381 (1358.6) o DDC1213
o UDC473 o
[ EQ566 ] Cs ENERGY= 1319.2 kJ/mol ( -377.8170408 Hartree)
Energy+ZPE= 1297.8 kJ/mol ZPE= 0.0413935
CONNECTIONS:
o TS297 (1410.8) o EQ31
o TS1782 (1452.1) o EQ209
o TS3221 (1369.2) o EQ519
o TS3371 (1325.4) o EQ562
o TS3382 (1436.0) o DDC1214
o UDC474 o
o UDC475 o
[ EQ567 ] Cs ENERGY= 1322.6 kJ/mol ( -377.8157122 Hartree)
Energy+ZPE= 1294.0 kJ/mol ZPE= 0.0386600
CONNECTIONS:
o TS3362 (1325.3) o EQ561
o TS3383 (1336.8) o DDC1215
o UDC476 o
[ EQ568 ] Cs ENERGY= 1325.6 kJ/mol ( -377.8145906 Hartree)
Energy+ZPE= 1297.5 kJ/mol ZPE= 0.0388501
CONNECTIONS:
o TS686 (1337.7) o EQ58
o TS3356 (1388.2) o EQ560
o TS3384 (1337.8) o EQ571
o TS3385 (1333.0) o DDC1216
o TS3386 (1351.8) o DDC1217
o TS3387 (1480.3) o DDC1218
[ EQ569 ] Cs ENERGY= 1326.5 kJ/mol ( -377.8142478 Hartree)
Energy+ZPE= 1297.4 kJ/mol ZPE= 0.0384770
CONNECTIONS:
o TS2429 (1346.9) o EQ341
o TS2479 (1346.4) o EQ350
o TS3363 (1392.4) o EQ561
o TS3388 (1337.8) o EQ572
o TS3389 (1332.2) o DDC1219
o TS3390 (1337.7) o DDC1220
o TS3391 (1345.6) o DDC1221
o TS3392 (1358.7) o DDC1222
[ EQ570 ] Cs ENERGY= 1327.6 kJ/mol ( -377.8138293 Hartree)
Energy+ZPE= 1305.2 kJ/mol ZPE= 0.0409991
CONNECTIONS:
o TS1048 (1338.6) o EQ94
o TS3346 (1387.8) o EQ558
o TS3393 (1449.3) o EQ572
o TS3394 (1390.1) o DDC1223
o TS3395 (1402.6) o DDC1224
o TS3396 (1403.2) o DDC1225
o TS3397 (1439.2) o DDC1226
o UDC477 o
[ EQ571 ] Cs ENERGY= 1334.1 kJ/mol ( -377.8113442 Hartree)
Energy+ZPE= 1306.0 kJ/mol ZPE= 0.0388536
CONNECTIONS:
o TS758 (1346.4) o EQ65
o TS1158 (1342.8) o EQ112
o TS3347 (1435.9) o EQ558
o TS3378 (1480.6) o EQ565
o TS3384 (1337.8) o EQ568
[ EQ572 ] Cs ENERGY= 1336.1 kJ/mol ( -377.8105710 Hartree)
Energy+ZPE= 1306.5 kJ/mol ZPE= 0.0382726
CONNECTIONS:
o TS3388 (1337.8) o EQ569
o TS3393 (1449.3) o EQ570
o TS3398 (1356.4) o DDC1227
[ EQ573 ] C1 ENERGY= 1341.3 kJ/mol ( -377.8086007 Hartree)
Energy+ZPE= 1318.1 kJ/mol ZPE= 0.0407272
CONNECTIONS:
o TS1006 (1389.6) o EQ87
o TS1035 (1387.1) o EQ92
o TS2542 (1406.9) o EQ358
o TS2609 (1420.7) o EQ374
o TS3399 (1351.3) o EQ573
o TS3400 (1701.2) o EQ573
o TS3401 (1366.6) o EQ575
o TS3402 (1353.6) o DDC1228
o TS3403 (1445.5) o DDC1229
[ EQ574 ] Cs ENERGY= 1355.1 kJ/mol ( -377.8033496 Hartree)
Energy+ZPE= 1331.7 kJ/mol ZPE= 0.0406386
CONNECTIONS:
o TS2735 (1364.8) o EQ401
[ EQ575 ] Cs ENERGY= 1365.4 kJ/mol ( -377.7994153 Hartree)
Energy+ZPE= 1341.7 kJ/mol ZPE= 0.0405132
CONNECTIONS:
o TS298 (1453.1) o EQ31
o TS3401 (1366.6) o EQ573
o TS3404 (1409.4) o DDC1230
o UDC478 o
[ EQ576 ] C1 ENERGY= 1380.5 kJ/mol ( -377.7936836 Hartree)
Energy+ZPE= 1348.9 kJ/mol ZPE= 0.0375271
CONNECTIONS:
o TS2989 (1392.5) o EQ460
o TS3405 (1382.0) o DDC1231
o TS3406 (1383.1) o DDC1232
o TS3407 (1384.0) o DDC1233
o TS3408 (1435.4) o DDC1234
[ EQ577 ] C1 ENERGY= 1381.1 kJ/mol ( -377.7934429 Hartree)
Energy+ZPE= 1349.6 kJ/mol ZPE= 0.0375557
CONNECTIONS:
o TS3409 (1383.3) o DDC1235
o TS3410 (1383.7) o DDC1236
o TS3411 (1383.8) o DDC1237
o TS3412 (1393.2) o DDC1238
[ EQ578 ] C2 ENERGY= 1416.8 kJ/mol ( -377.7798366 Hartree)
Energy+ZPE= 1397.4 kJ/mol ZPE= 0.0421666
CONNECTIONS:
o TS3182 (1426.0) o EQ510
o TS3183 (1451.1) o EQ510
o TS3190 (1443.4) o EQ511
o TS3191 (1444.6) o EQ511
o TS3354 (1467.8) o EQ559
o TS3413 (1428.2) o EQ578
o TS3414 (1435.5) o EQ579
o TS3415 (1526.4) o DDC1239
[ EQ579 ] C1 ENERGY= 1418.2 kJ/mol ( -377.7793285 Hartree)
Energy+ZPE= 1398.6 kJ/mol ZPE= 0.0420745
CONNECTIONS:
o TS3184 (1441.5) o EQ510
o TS3185 (1453.6) o EQ510
o TS3192 (1425.7) o EQ511
o TS3193 (1445.5) o EQ511
o TS3373 (1465.5) o EQ563
o TS3414 (1435.5) o EQ578
o TS3416 (1418.8) o EQ579
o TS3417 (1429.7) o EQ579
o TS3418 (1525.9) o DDC1240
o TS3419 (1527.2) o DDC1241
[ EQ580 ] Cs ENERGY= 1456.6 kJ/mol ( -377.7646982 Hartree)
Energy+ZPE= 1423.7 kJ/mol ZPE= 0.0370257
CONNECTIONS:
o TS3357 (1458.0) o EQ560
[ TS0 ] Animation C1 ENERGY= 64.9 kJ/mol
Energy+ZPE= 58.9 kJ/mol ZPE= 0.0472638
CONNECTIONS:
o EQ0 o EQ4
INSERT of TS0
[ TS1 ] Animation C2 ENERGY= 68.7 kJ/mol
Energy+ZPE= 64.0 kJ/mol ZPE= 0.0477756
CONNECTIONS:
o EQ0 o EQ13
INSERT of TS1
[ TS2 ] Animation Cs ENERGY= 93.2 kJ/mol
Energy+ZPE= 83.8 kJ/mol ZPE= 0.0459718
CONNECTIONS:
o EQ0 o EQ15
INSERT of TS2
[ TS3 ] Animation C1 ENERGY= 309.9 kJ/mol
Energy+ZPE= 300.1 kJ/mol ZPE= 0.0458309
CONNECTIONS:
o EQ0 o EQ17
INSERT of TS3
[ TS4 ] Animation C1 ENERGY= 661.3 kJ/mol
Energy+ZPE= 647.7 kJ/mol ZPE= 0.0443743
CONNECTIONS:
o EQ0 o EQ132
[ TS5 ] Animation C1 ENERGY= 687.6 kJ/mol
Energy+ZPE= 669.2 kJ/mol ZPE= 0.0425332
CONNECTIONS:
o EQ0 o EQ146
[ TS6 ] Animation C1 ENERGY= 685.6 kJ/mol
Energy+ZPE= 670.9 kJ/mol ZPE= 0.0439645
CONNECTIONS:
o EQ0 o EQ188
[ TS7 ] Animation C1 ENERGY= 702.9 kJ/mol
Energy+ZPE= 687.8 kJ/mol ZPE= 0.0437911
CONNECTIONS:
o EQ0 o EQ188
[ TS8 ] Animation C1 ENERGY= 821.0 kJ/mol
Energy+ZPE= 806.0 kJ/mol ZPE= 0.0438241
CONNECTIONS:
o EQ0 o EQ212
[ TS9 ] Animation Cs ENERGY= 140.5 kJ/mol
Energy+ZPE= 133.5 kJ/mol ZPE= 0.0468665
CONNECTIONS:
o EQ0 o DDC0
[ TS10 ] Animation Cs ENERGY= 336.5 kJ/mol
Energy+ZPE= 311.9 kJ/mol ZPE= 0.0401682
CONNECTIONS:
o EQ0 o DDC1
[ TS11 ] Animation Cs ENERGY= 606.6 kJ/mol
Energy+ZPE= 583.7 kJ/mol ZPE= 0.0408297
CONNECTIONS:
o EQ0 o DDC2
[ TS12 ] Animation C1 ENERGY= 607.1 kJ/mol
Energy+ZPE= 581.7 kJ/mol ZPE= 0.0398644
CONNECTIONS:
o EQ0 o DDC3
[ TS13 ] Animation C1 ENERGY= 53.1 kJ/mol
Energy+ZPE= 46.4 kJ/mol ZPE= 0.0469904
CONNECTIONS:
o EQ1 o EQ8
[ TS14 ] Animation C1 ENERGY= 32.4 kJ/mol
Energy+ZPE= 28.3 kJ/mol ZPE= 0.0479785
CONNECTIONS:
o EQ1 o EQ11
[ TS15 ] Animation C1 ENERGY= 566.1 kJ/mol
Energy+ZPE= 547.6 kJ/mol ZPE= 0.0424975
CONNECTIONS:
o EQ1 o EQ56
[ TS16 ] Animation Cs ENERGY= 594.6 kJ/mol
Energy+ZPE= 574.6 kJ/mol ZPE= 0.0419185
CONNECTIONS:
o EQ1 o EQ102
[ TS17 ] Animation Cs ENERGY= 778.4 kJ/mol
Energy+ZPE= 757.7 kJ/mol ZPE= 0.0416674
CONNECTIONS:
o EQ1 o EQ118
[ TS18 ] Animation C1 ENERGY= 879.5 kJ/mol
Energy+ZPE= 861.8 kJ/mol ZPE= 0.0428078
CONNECTIONS:
o EQ1 o EQ164
[ TS19 ] Animation C1 ENERGY= 897.4 kJ/mol
Energy+ZPE= 877.3 kJ/mol ZPE= 0.0418758
CONNECTIONS:
o EQ1 o EQ173
[ TS20 ] Animation Cs ENERGY= 34.0 kJ/mol
Energy+ZPE= 20.2 kJ/mol ZPE= 0.0442780
CONNECTIONS:
o EQ1 o DDC4
[ TS21 ] Animation C1 ENERGY= 51.9 kJ/mol
Energy+ZPE= 44.6 kJ/mol ZPE= 0.0467752
CONNECTIONS:
o EQ2 o EQ3
[ TS22 ] Animation C1 ENERGY= 110.9 kJ/mol
Energy+ZPE= 105.5 kJ/mol ZPE= 0.0474891
CONNECTIONS:
o EQ2 o EQ3
[ TS23 ] Animation C1 ENERGY= 30.3 kJ/mol
Energy+ZPE= 26.4 kJ/mol ZPE= 0.0480675
CONNECTIONS:
o EQ2 o EQ6
[ TS24 ] Animation C1 ENERGY= 31.4 kJ/mol
Energy+ZPE= 27.9 kJ/mol ZPE= 0.0482023
CONNECTIONS:
o EQ2 o EQ9
[ TS25 ] Animation Cs ENERGY= 167.6 kJ/mol
Energy+ZPE= 152.4 kJ/mol ZPE= 0.0437478
CONNECTIONS:
o EQ2 o EQ9
[ TS26 ] Animation Cs ENERGY= 359.3 kJ/mol
Energy+ZPE= 339.6 kJ/mol ZPE= 0.0420482
CONNECTIONS:
o EQ2 o EQ21
[ TS27 ] Animation C1 ENERGY= 566.3 kJ/mol
Energy+ZPE= 544.0 kJ/mol ZPE= 0.0410416
CONNECTIONS:
o EQ2 o EQ52
[ TS28 ] Animation C1 ENERGY= 739.5 kJ/mol
Energy+ZPE= 723.2 kJ/mol ZPE= 0.0433247
CONNECTIONS:
o EQ2 o EQ93
[ TS29 ] Animation C1 ENERGY= 622.4 kJ/mol
Energy+ZPE= 610.0 kJ/mol ZPE= 0.0448326
CONNECTIONS:
o EQ2 o EQ124
[ TS30 ] Animation Cs ENERGY= 132.4 kJ/mol
Energy+ZPE= 115.4 kJ/mol ZPE= 0.0430772
CONNECTIONS:
o EQ2 o DDC5
[ TS31 ] Animation C1 ENERGY= 280.5 kJ/mol
Energy+ZPE= 262.7 kJ/mol ZPE= 0.0427576
CONNECTIONS:
o EQ2 o DDC6
[ TS32 ] Animation C1 ENERGY= 67.0 kJ/mol
Energy+ZPE= 59.2 kJ/mol ZPE= 0.0465911
CONNECTIONS:
o EQ3 o EQ9
[ TS33 ] Animation C1 ENERGY= 38.5 kJ/mol
Energy+ZPE= 33.7 kJ/mol ZPE= 0.0477046
CONNECTIONS:
o EQ3 o EQ11
[ TS34 ] Animation Cs ENERGY= 362.5 kJ/mol
Energy+ZPE= 342.7 kJ/mol ZPE= 0.0419885
CONNECTIONS:
o EQ3 o EQ17
[ TS35 ] Animation Cs ENERGY= 365.9 kJ/mol
Energy+ZPE= 345.4 kJ/mol ZPE= 0.0417262
CONNECTIONS:
o EQ3 o EQ25
[ TS36 ] Animation C1 ENERGY= 554.5 kJ/mol
Energy+ZPE= 525.2 kJ/mol ZPE= 0.0384025
CONNECTIONS:
o EQ3 o EQ38
[ TS37 ] Animation C1 ENERGY= 555.9 kJ/mol
Energy+ZPE= 526.4 kJ/mol ZPE= 0.0383116
CONNECTIONS:
o EQ3 o EQ42
[ TS38 ] Animation C1 ENERGY= 445.0 kJ/mol
Energy+ZPE= 426.6 kJ/mol ZPE= 0.0425373
CONNECTIONS:
o EQ3 o EQ55
[ TS39 ] Animation C1 ENERGY= 731.6 kJ/mol
Energy+ZPE= 713.6 kJ/mol ZPE= 0.0426970
CONNECTIONS:
o EQ3 o EQ69
[ TS40 ] Animation Cs ENERGY= 588.9 kJ/mol
Energy+ZPE= 569.0 kJ/mol ZPE= 0.0419520
CONNECTIONS:
o EQ3 o EQ93
[ TS41 ] Animation Cs ENERGY= 600.1 kJ/mol
Energy+ZPE= 579.0 kJ/mol ZPE= 0.0415174
CONNECTIONS:
o EQ3 o EQ105
[ TS42 ] Animation C1 ENERGY= 618.8 kJ/mol
Energy+ZPE= 608.0 kJ/mol ZPE= 0.0454398
CONNECTIONS:
o EQ3 o EQ127
[ TS43 ] Animation Cs ENERGY= 132.1 kJ/mol
Energy+ZPE= 115.3 kJ/mol ZPE= 0.0431298
CONNECTIONS:
o EQ3 o DDC7
[ TS44 ] Animation C1 ENERGY= 168.2 kJ/mol
Energy+ZPE= 149.4 kJ/mol ZPE= 0.0423758
CONNECTIONS:
o EQ3 o DDC8
[ TS45 ] Animation C1 ENERGY= 270.6 kJ/mol
Energy+ZPE= 252.6 kJ/mol ZPE= 0.0426843
CONNECTIONS:
o EQ3 o DDC9
[ TS46 ] Animation Cs ENERGY= 405.0 kJ/mol
Energy+ZPE= 382.9 kJ/mol ZPE= 0.0411352
CONNECTIONS:
o EQ3 o DDC10
[ TS47 ] Animation C1 ENERGY= 176.5 kJ/mol
Energy+ZPE= 170.1 kJ/mol ZPE= 0.0471068
CONNECTIONS:
o EQ4 o EQ4
[ TS48 ] Animation C2 ENERGY= 218.2 kJ/mol
Energy+ZPE= 208.4 kJ/mol ZPE= 0.0458218
CONNECTIONS:
o EQ4 o EQ4
[ TS49 ] Animation C1 ENERGY= 68.0 kJ/mol
Energy+ZPE= 61.3 kJ/mol ZPE= 0.0469866
CONNECTIONS:
o EQ4 o EQ5
[ TS50 ] Animation C1 ENERGY= 803.5 kJ/mol
Energy+ZPE= 792.6 kJ/mol ZPE= 0.0454036
CONNECTIONS:
o EQ4 o EQ5
[ TS51 ] Animation C1 ENERGY= 44.3 kJ/mol
Energy+ZPE= 40.7 kJ/mol ZPE= 0.0481877
CONNECTIONS:
o EQ4 o EQ10
[ TS52 ] Animation Cs ENERGY= 174.5 kJ/mol
Energy+ZPE= 160.0 kJ/mol ZPE= 0.0440351
CONNECTIONS:
o EQ4 o EQ10
[ TS53 ] Animation C1 ENERGY= 203.9 kJ/mol
Energy+ZPE= 195.9 kJ/mol ZPE= 0.0464888
CONNECTIONS:
o EQ4 o EQ15
[ TS54 ] Animation C1 ENERGY= 307.9 kJ/mol
Energy+ZPE= 296.8 kJ/mol ZPE= 0.0453296
CONNECTIONS:
o EQ4 o EQ16
[ TS55 ] Animation C1 ENERGY= 197.6 kJ/mol
Energy+ZPE= 189.6 kJ/mol ZPE= 0.0465173
CONNECTIONS:
o EQ4 o EQ18
[ TS56 ] Animation C1 ENERGY= 201.7 kJ/mol
Energy+ZPE= 192.7 kJ/mol ZPE= 0.0461199
CONNECTIONS:
o EQ4 o EQ18
[ TS57 ] Animation C1 ENERGY= 302.3 kJ/mol
Energy+ZPE= 293.3 kJ/mol ZPE= 0.0461247
CONNECTIONS:
o EQ4 o EQ24
[ TS58 ] Animation C1 ENERGY= 449.7 kJ/mol
Energy+ZPE= 431.7 kJ/mol ZPE= 0.0426907
CONNECTIONS:
o EQ4 o EQ27
[ TS59 ] Animation C1 ENERGY= 497.6 kJ/mol
Energy+ZPE= 478.0 kJ/mol ZPE= 0.0420954
CONNECTIONS:
o EQ4 o EQ73
[ TS60 ] Animation C1 ENERGY= 585.8 kJ/mol
Energy+ZPE= 569.4 kJ/mol ZPE= 0.0433024
CONNECTIONS:
o EQ4 o EQ130
[ TS61 ] Animation C1 ENERGY= 589.8 kJ/mol
Energy+ZPE= 572.6 kJ/mol ZPE= 0.0429852
CONNECTIONS:
o EQ4 o EQ130
[ TS62 ] Animation C1 ENERGY= 653.1 kJ/mol
Energy+ZPE= 640.9 kJ/mol ZPE= 0.0448958
CONNECTIONS:
o EQ4 o EQ134
[ TS63 ] Animation C1 ENERGY= 677.0 kJ/mol
Energy+ZPE= 659.4 kJ/mol ZPE= 0.0428566
CONNECTIONS:
o EQ4 o EQ134
[ TS64 ] Animation C1 ENERGY= 679.3 kJ/mol
Energy+ZPE= 663.0 kJ/mol ZPE= 0.0433238
CONNECTIONS:
o EQ4 o EQ139
[ TS65 ] Animation C1 ENERGY= 708.5 kJ/mol
Energy+ZPE= 693.3 kJ/mol ZPE= 0.0437680
CONNECTIONS:
o EQ4 o EQ170
[ TS66 ] Animation C1 ENERGY= 846.3 kJ/mol
Energy+ZPE= 825.4 kJ/mol ZPE= 0.0416040
CONNECTIONS:
o EQ4 o EQ171
[ TS67 ] Animation C1 ENERGY= 710.5 kJ/mol
Energy+ZPE= 696.6 kJ/mol ZPE= 0.0442419
CONNECTIONS:
o EQ4 o EQ178
[ TS68 ] Animation C1 ENERGY= 683.3 kJ/mol
Energy+ZPE= 668.4 kJ/mol ZPE= 0.0438776
CONNECTIONS:
o EQ4 o EQ185
[ TS69 ] Animation C1 ENERGY= 697.6 kJ/mol
Energy+ZPE= 682.9 kJ/mol ZPE= 0.0439318
CONNECTIONS:
o EQ4 o EQ185
[ TS70 ] Animation C1 ENERGY= 737.1 kJ/mol
Energy+ZPE= 722.4 kJ/mol ZPE= 0.0439437
CONNECTIONS:
o EQ4 o EQ257
[ TS71 ] Animation C1 ENERGY= 710.1 kJ/mol
Energy+ZPE= 693.8 kJ/mol ZPE= 0.0433229
CONNECTIONS:
o EQ4 o EQ259
[ TS72 ] Animation Cs ENERGY= 145.7 kJ/mol
Energy+ZPE= 137.3 kJ/mol ZPE= 0.0463357
CONNECTIONS:
o EQ4 o DDC11
[ TS73 ] Animation C1 ENERGY= 252.1 kJ/mol
Energy+ZPE= 240.1 kJ/mol ZPE= 0.0449766
CONNECTIONS:
o EQ4 o DDC12
[ TS74 ] Animation C1 ENERGY= 320.4 kJ/mol
Energy+ZPE= 296.8 kJ/mol ZPE= 0.0405526
CONNECTIONS:
o EQ4 o DDC13
[ TS75 ] Animation C1 ENERGY= 385.9 kJ/mol
Energy+ZPE= 364.1 kJ/mol ZPE= 0.0412349
CONNECTIONS:
o EQ4 o DDC14
[ TS76 ] Animation C1 ENERGY= 510.8 kJ/mol
Energy+ZPE= 498.0 kJ/mol ZPE= 0.0446535
CONNECTIONS:
o EQ4 o DDC15
[ TS77 ] Animation C1 ENERGY= 576.9 kJ/mol
Energy+ZPE= 550.8 kJ/mol ZPE= 0.0395937
CONNECTIONS:
o EQ4 o DDC16
[ TS78 ] Animation C2 ENERGY= 22.0 kJ/mol
Energy+ZPE= 19.4 kJ/mol ZPE= 0.0485734
CONNECTIONS:
o EQ5 o EQ7
[ TS79 ] Animation C1 ENERGY= 301.2 kJ/mol
Energy+ZPE= 291.0 kJ/mol ZPE= 0.0456605
CONNECTIONS:
o EQ5 o EQ23
[ TS80 ] Animation C1 ENERGY= 677.1 kJ/mol
Energy+ZPE= 653.1 kJ/mol ZPE= 0.0404056
CONNECTIONS:
o EQ5 o EQ99
[ TS81 ] Animation C1 ENERGY= 705.2 kJ/mol
Energy+ZPE= 689.9 kJ/mol ZPE= 0.0437028
CONNECTIONS:
o EQ5 o EQ171
[ TS82 ] Animation C1 ENERGY= 705.2 kJ/mol
Energy+ZPE= 691.4 kJ/mol ZPE= 0.0442858
CONNECTIONS:
o EQ5 o EQ175
[ TS83 ] Animation C1 ENERGY= 692.0 kJ/mol
Energy+ZPE= 676.5 kJ/mol ZPE= 0.0436436
CONNECTIONS:
o EQ5 o EQ215
[ TS84 ] Animation C1 ENERGY= 821.7 kJ/mol
Energy+ZPE= 806.6 kJ/mol ZPE= 0.0437916
CONNECTIONS:
o EQ5 o EQ218
[ TS85 ] Animation C1 ENERGY= 17.4 kJ/mol
Energy+ZPE= 14.6 kJ/mol ZPE= 0.0484674
CONNECTIONS:
o EQ6 o EQ6
[ TS86 ] Animation C1 ENERGY= 663.8 kJ/mol
Energy+ZPE= 652.3 kJ/mol ZPE= 0.0451541
CONNECTIONS:
o EQ6 o EQ6
[ TS87 ] Animation Cs ENERGY= 822.8 kJ/mol
Energy+ZPE= 805.3 kJ/mol ZPE= 0.0428874
CONNECTIONS:
o EQ6 o EQ6
[ TS88 ] Animation Cs ENERGY= 838.4 kJ/mol
Energy+ZPE= 820.1 kJ/mol ZPE= 0.0425642
CONNECTIONS:
o EQ6 o EQ6
[ TS89 ] Animation C1 ENERGY= 18.3 kJ/mol
Energy+ZPE= 15.6 kJ/mol ZPE= 0.0485170
CONNECTIONS:
o EQ6 o EQ8
[ TS90 ] Animation C1 ENERGY= 177.3 kJ/mol
Energy+ZPE= 162.1 kJ/mol ZPE= 0.0437412
CONNECTIONS:
o EQ6 o EQ8
[ TS91 ] Animation C1 ENERGY= 64.3 kJ/mol
Energy+ZPE= 56.6 kJ/mol ZPE= 0.0466274
CONNECTIONS:
o EQ6 o EQ11
[ TS92 ] Animation C1 ENERGY= 653.4 kJ/mol
Energy+ZPE= 632.3 kJ/mol ZPE= 0.0414918
CONNECTIONS:
o EQ6 o EQ43
[ TS93 ] Animation C1 ENERGY= 624.5 kJ/mol
Energy+ZPE= 594.3 kJ/mol ZPE= 0.0380480
CONNECTIONS:
o EQ6 o EQ76
[ TS94 ] Animation C1 ENERGY= 654.1 kJ/mol
Energy+ZPE= 631.0 kJ/mol ZPE= 0.0407440
CONNECTIONS:
o EQ6 o EQ91
[ TS95 ] Animation C1 ENERGY= 686.4 kJ/mol
Energy+ZPE= 670.1 kJ/mol ZPE= 0.0433531
CONNECTIONS:
o EQ6 o EQ119
[ TS96 ] Animation C1 ENERGY= 619.1 kJ/mol
Energy+ZPE= 605.7 kJ/mol ZPE= 0.0444361
CONNECTIONS:
o EQ6 o EQ120
[ TS97 ] Animation C1 ENERGY= 686.1 kJ/mol
Energy+ZPE= 670.1 kJ/mol ZPE= 0.0434583
CONNECTIONS:
o EQ6 o EQ120
[ TS98 ] Animation C1 ENERGY= 743.5 kJ/mol
Energy+ZPE= 728.6 kJ/mol ZPE= 0.0438546
CONNECTIONS:
o EQ6 o EQ148
[ TS99 ] Animation C1 ENERGY= 700.4 kJ/mol
Energy+ZPE= 688.5 kJ/mol ZPE= 0.0450157
CONNECTIONS:
o EQ6 o EQ207
[ TS100 ] Animation C1 ENERGY= 780.0 kJ/mol
Energy+ZPE= 762.9 kJ/mol ZPE= 0.0430524
CONNECTIONS:
o EQ6 o EQ226
[ TS101 ] Animation C1 ENERGY= 790.9 kJ/mol
Energy+ZPE= 773.3 kJ/mol ZPE= 0.0428266
CONNECTIONS:
o EQ6 o EQ226
[ TS102 ] Animation C1 ENERGY= 707.2 kJ/mol
Energy+ZPE= 695.0 kJ/mol ZPE= 0.0449025
CONNECTIONS:
o EQ6 o EQ254
[ TS103 ] Animation C1 ENERGY= 818.8 kJ/mol
Energy+ZPE= 802.7 kJ/mol ZPE= 0.0434128
CONNECTIONS:
o EQ6 o EQ328
[ TS104 ] Animation C1 ENERGY= 837.6 kJ/mol
Energy+ZPE= 820.3 kJ/mol ZPE= 0.0429415
CONNECTIONS:
o EQ6 o EQ341
[ TS105 ] Animation C1 ENERGY= 1086.9 kJ/mol
Energy+ZPE= 1063.0 kJ/mol ZPE= 0.0404330
CONNECTIONS:
o EQ6 o DDC17
[ TS106 ] Animation C1 ENERGY= 71.2 kJ/mol
Energy+ZPE= 64.2 kJ/mol ZPE= 0.0468787
CONNECTIONS:
o EQ7 o EQ10
[ TS107 ] Animation C2 ENERGY= 576.0 kJ/mol
Energy+ZPE= 562.9 kJ/mol ZPE= 0.0445683
CONNECTIONS:
o EQ7 o EQ116
[ TS108 ] Animation C1 ENERGY= 761.5 kJ/mol
Energy+ZPE= 744.8 kJ/mol ZPE= 0.0431923
CONNECTIONS:
o EQ7 o EQ177
[ TS109 ] Animation C1 ENERGY= 687.0 kJ/mol
Energy+ZPE= 671.0 kJ/mol ZPE= 0.0434690
CONNECTIONS:
o EQ7 o EQ206
[ TS110 ] Animation C1 ENERGY= 726.5 kJ/mol
Energy+ZPE= 712.6 kJ/mol ZPE= 0.0442642
CONNECTIONS:
o EQ7 o EQ206
[ TS111 ] Animation C1 ENERGY= 278.4 kJ/mol
Energy+ZPE= 264.5 kJ/mol ZPE= 0.0442402
CONNECTIONS:
o EQ7 o DDC18
[ TS112 ] Animation Cs ENERGY= 22.8 kJ/mol
Energy+ZPE= 19.8 kJ/mol ZPE= 0.0484096
CONNECTIONS:
o EQ8 o EQ8
[ TS113 ] Animation Cs ENERGY= 135.4 kJ/mol
Energy+ZPE= 128.7 kJ/mol ZPE= 0.0470132
CONNECTIONS:
o EQ8 o EQ8
[ TS114 ] Animation C1 ENERGY= 771.6 kJ/mol
Energy+ZPE= 753.1 kJ/mol ZPE= 0.0424962
CONNECTIONS:
o EQ8 o EQ8
[ TS115 ] Animation C1 ENERGY= 35.8 kJ/mol
Energy+ZPE= 31.4 kJ/mol ZPE= 0.0478768
CONNECTIONS:
o EQ8 o EQ9
[ TS116 ] Animation C1 ENERGY= 372.0 kJ/mol
Energy+ZPE= 351.5 kJ/mol ZPE= 0.0417543
CONNECTIONS:
o EQ8 o EQ27
[ TS117 ] Animation C1 ENERGY= 484.6 kJ/mol
Energy+ZPE= 462.1 kJ/mol ZPE= 0.0409649
CONNECTIONS:
o EQ8 o EQ31
[ TS118 ] Animation C1 ENERGY= 487.4 kJ/mol
Energy+ZPE= 458.1 kJ/mol ZPE= 0.0383759
CONNECTIONS:
o EQ8 o EQ31
[ TS119 ] Animation C1 ENERGY= 597.6 kJ/mol
Energy+ZPE= 576.6 kJ/mol ZPE= 0.0415567
CONNECTIONS:
o EQ8 o EQ43
[ TS120 ] Animation C1 ENERGY= 598.4 kJ/mol
Energy+ZPE= 577.6 kJ/mol ZPE= 0.0416149
CONNECTIONS:
o EQ8 o EQ43
[ TS121 ] Animation C1 ENERGY= 566.0 kJ/mol
Energy+ZPE= 546.3 kJ/mol ZPE= 0.0420547
CONNECTIONS:
o EQ8 o EQ57
[ TS122 ] Animation C1 ENERGY= 568.1 kJ/mol
Energy+ZPE= 547.2 kJ/mol ZPE= 0.0415708
CONNECTIONS:
o EQ8 o EQ76
[ TS123 ] Animation C1 ENERGY= 573.2 kJ/mol
Energy+ZPE= 550.9 kJ/mol ZPE= 0.0410503
CONNECTIONS:
o EQ8 o EQ76
[ TS124 ] Animation C1 ENERGY= 693.0 kJ/mol
Energy+ZPE= 676.1 kJ/mol ZPE= 0.0431007
CONNECTIONS:
o EQ8 o EQ200
[ TS125 ] Animation C1 ENERGY= 171.2 kJ/mol
Energy+ZPE= 162.0 kJ/mol ZPE= 0.0460529
CONNECTIONS:
o EQ8 o DDC19
[ TS126 ] Animation C1 ENERGY= 474.0 kJ/mol
Energy+ZPE= 448.3 kJ/mol ZPE= 0.0397438
CONNECTIONS:
o EQ8 o DDC20
[ TS127 ] Animation C1 ENERGY= 639.9 kJ/mol
Energy+ZPE= 618.5 kJ/mol ZPE= 0.0414040
CONNECTIONS:
o EQ8 o DDC21
[ TS128 ] Animation C1 ENERGY= 708.8 kJ/mol
Energy+ZPE= 689.5 kJ/mol ZPE= 0.0421880
CONNECTIONS:
o EQ8 o DDC22
[ TS129 ] Animation C1 ENERGY= 365.1 kJ/mol
Energy+ZPE= 344.8 kJ/mol ZPE= 0.0417992
CONNECTIONS:
o EQ9 o EQ24
[ TS130 ] Animation C1 ENERGY= 713.8 kJ/mol
Energy+ZPE= 694.5 kJ/mol ZPE= 0.0422032
CONNECTIONS:
o EQ9 o EQ33
[ TS131 ] Animation C1 ENERGY= 590.0 kJ/mol
Energy+ZPE= 568.2 kJ/mol ZPE= 0.0412381
CONNECTIONS:
o EQ9 o EQ54
[ TS132 ] Animation C1 ENERGY= 574.6 kJ/mol
Energy+ZPE= 553.1 kJ/mol ZPE= 0.0413663
CONNECTIONS:
o EQ9 o EQ69
[ TS133 ] Animation C1 ENERGY= 577.2 kJ/mol
Energy+ZPE= 555.0 kJ/mol ZPE= 0.0410807
CONNECTIONS:
o EQ9 o EQ69
[ TS134 ] Animation C1 ENERGY= 183.9 kJ/mol
Energy+ZPE= 173.7 kJ/mol ZPE= 0.0456750
CONNECTIONS:
o EQ9 o DDC23
[ TS135 ] Animation C1 ENERGY= 195.6 kJ/mol
Energy+ZPE= 174.4 kJ/mol ZPE= 0.0414747
CONNECTIONS:
o EQ9 o DDC24
[ TS136 ] Animation C1 ENERGY= 244.6 kJ/mol
Energy+ZPE= 226.9 kJ/mol ZPE= 0.0427868
CONNECTIONS:
o EQ9 o DDC25
[ TS137 ] Animation C1 ENERGY= 547.9 kJ/mol
Energy+ZPE= 517.6 kJ/mol ZPE= 0.0380126
CONNECTIONS:
o EQ9 o DDC26
[ TS138 ] Animation C1 ENERGY= 80.1 kJ/mol
Energy+ZPE= 73.3 kJ/mol ZPE= 0.0469761
CONNECTIONS:
o EQ10 o EQ13
[ TS139 ] Animation C1 ENERGY= 456.1 kJ/mol
Energy+ZPE= 436.9 kJ/mol ZPE= 0.0422258
CONNECTIONS:
o EQ10 o EQ27
[ TS140 ] Animation C1 ENERGY= 580.9 kJ/mol
Energy+ZPE= 567.2 kJ/mol ZPE= 0.0443136
CONNECTIONS:
o EQ10 o EQ117
[ TS141 ] Animation C1 ENERGY= 738.6 kJ/mol
Energy+ZPE= 726.3 kJ/mol ZPE= 0.0448697
CONNECTIONS:
o EQ10 o EQ178
[ TS142 ] Animation C1 ENERGY= 698.7 kJ/mol
Energy+ZPE= 681.9 kJ/mol ZPE= 0.0431426
CONNECTIONS:
o EQ10 o EQ220
[ TS143 ] Animation C1 ENERGY= 175.1 kJ/mol
Energy+ZPE= 157.3 kJ/mol ZPE= 0.0427509
CONNECTIONS:
o EQ10 o DDC27
[ TS144 ] Animation C1 ENERGY= 285.3 kJ/mol
Energy+ZPE= 270.2 kJ/mol ZPE= 0.0438129
CONNECTIONS:
o EQ10 o DDC28
[ TS145 ] Animation C1 ENERGY= 287.3 kJ/mol
Energy+ZPE= 272.6 kJ/mol ZPE= 0.0439537
CONNECTIONS:
o EQ10 o DDC29
[ TS146 ] Animation C1 ENERGY= 319.8 kJ/mol
Energy+ZPE= 303.1 kJ/mol ZPE= 0.0431960
CONNECTIONS:
o EQ10 o DDC30
[ TS147 ] Animation Cs ENERGY= 26.8 kJ/mol
Energy+ZPE= 22.8 kJ/mol ZPE= 0.0480336
CONNECTIONS:
o EQ11 o EQ11
[ TS148 ] Animation Cs ENERGY= 130.5 kJ/mol
Energy+ZPE= 123.1 kJ/mol ZPE= 0.0467374
CONNECTIONS:
o EQ11 o EQ11
[ TS149 ] Animation C1 ENERGY= 661.5 kJ/mol
Energy+ZPE= 650.4 kJ/mol ZPE= 0.0453064
CONNECTIONS:
o EQ11 o EQ11
[ TS150 ] Animation C1 ENERGY= 380.8 kJ/mol
Energy+ZPE= 359.7 kJ/mol ZPE= 0.0415042
CONNECTIONS:
o EQ11 o EQ28
[ TS151 ] Animation C1 ENERGY= 562.0 kJ/mol
Energy+ZPE= 541.5 kJ/mol ZPE= 0.0417553
CONNECTIONS:
o EQ11 o EQ58
[ TS152 ] Animation C1 ENERGY= 724.9 kJ/mol
Energy+ZPE= 700.6 kJ/mol ZPE= 0.0403103
CONNECTIONS:
o EQ11 o EQ94
[ TS153 ] Animation Cs ENERGY= 596.5 kJ/mol
Energy+ZPE= 575.9 kJ/mol ZPE= 0.0416927
CONNECTIONS:
o EQ11 o EQ112
[ TS154 ] Animation C1 ENERGY= 733.1 kJ/mol
Energy+ZPE= 714.3 kJ/mol ZPE= 0.0423965
CONNECTIONS:
o EQ11 o EQ112
[ TS155 ] Animation C1 ENERGY= 619.3 kJ/mol
Energy+ZPE= 605.3 kJ/mol ZPE= 0.0442230
CONNECTIONS:
o EQ11 o EQ119
[ TS156 ] Animation C1 ENERGY= 726.1 kJ/mol
Energy+ZPE= 713.8 kJ/mol ZPE= 0.0448650
CONNECTIONS:
o EQ11 o EQ120
[ TS157 ] Animation C1 ENERGY= 828.2 kJ/mol
Energy+ZPE= 810.7 kJ/mol ZPE= 0.0428859
CONNECTIONS:
o EQ11 o EQ157
[ TS158 ] Animation C1 ENERGY= 777.1 kJ/mol
Energy+ZPE= 760.6 kJ/mol ZPE= 0.0432719
CONNECTIONS:
o EQ11 o EQ228
[ TS159 ] Animation C1 ENERGY= 792.7 kJ/mol
Energy+ZPE= 774.8 kJ/mol ZPE= 0.0427481
CONNECTIONS:
o EQ11 o EQ228
[ TS160 ] Animation C1 ENERGY= 793.4 kJ/mol
Energy+ZPE= 775.0 kJ/mol ZPE= 0.0425506
CONNECTIONS:
o EQ11 o EQ234
[ TS161 ] Animation C1 ENERGY= 923.3 kJ/mol
Energy+ZPE= 906.1 kJ/mol ZPE= 0.0429807
CONNECTIONS:
o EQ11 o EQ331
[ TS162 ] Animation C1 ENERGY= 924.4 kJ/mol
Energy+ZPE= 903.7 kJ/mol ZPE= 0.0416527
CONNECTIONS:
o EQ11 o EQ331
[ TS163 ] Animation C1 ENERGY= 918.4 kJ/mol
Energy+ZPE= 901.3 kJ/mol ZPE= 0.0430287
CONNECTIONS:
o EQ11 o EQ334
[ TS164 ] Animation C1 ENERGY= 852.9 kJ/mol
Energy+ZPE= 834.1 kJ/mol ZPE= 0.0423953
CONNECTIONS:
o EQ11 o EQ350
[ TS165 ] Animation C1 ENERGY= 169.6 kJ/mol
Energy+ZPE= 150.0 kJ/mol ZPE= 0.0420826
CONNECTIONS:
o EQ11 o DDC31
[ TS166 ] Animation C1 ENERGY= 702.1 kJ/mol
Energy+ZPE= 684.0 kJ/mol ZPE= 0.0426486
CONNECTIONS:
o EQ11 o DDC32
[ TS167 ] Animation C1 ENERGY= 82.9 kJ/mol
Energy+ZPE= 81.4 kJ/mol ZPE= 0.0489839
CONNECTIONS:
o EQ12 o EQ14
[ TS168 ] Animation C1 ENERGY= 134.0 kJ/mol
Energy+ZPE= 128.3 kJ/mol ZPE= 0.0473661
CONNECTIONS:
o EQ12 o DDC33
[ TS169 ] Animation C1 ENERGY= 416.4 kJ/mol
Energy+ZPE= 396.0 kJ/mol ZPE= 0.0417804
CONNECTIONS:
o EQ12 o DDC34
[ TS170 ] Animation C1 ENERGY= 802.1 kJ/mol
Energy+ZPE= 787.8 kJ/mol ZPE= 0.0441030
CONNECTIONS:
o EQ12 o DDC35
[ TS171 ] Animation C2v ENERGY= 90.8 kJ/mol
Energy+ZPE= 83.2 kJ/mol ZPE= 0.0466486
CONNECTIONS:
o EQ13 o EQ13
[ TS172 ] Animation C2 ENERGY= 584.0 kJ/mol
Energy+ZPE= 569.7 kJ/mol ZPE= 0.0441115
CONNECTIONS:
o EQ13 o EQ116
[ TS173 ] Animation Cs ENERGY= 77.3 kJ/mol
Energy+ZPE= 76.6 kJ/mol ZPE= 0.0492698
CONNECTIONS:
o EQ14 o EQ14
[ TS174 ] Animation C1 ENERGY= 151.6 kJ/mol
Energy+ZPE= 145.4 kJ/mol ZPE= 0.0471943
CONNECTIONS:
o EQ14 o DDC36
[ TS175 ] Animation C1 ENERGY= 819.3 kJ/mol
Energy+ZPE= 804.3 kJ/mol ZPE= 0.0438500
CONNECTIONS:
o EQ14 o DDC37
[ TS176 ] Animation Cs ENERGY= 168.5 kJ/mol
Energy+ZPE= 163.1 kJ/mol ZPE= 0.0474861
CONNECTIONS:
o EQ15 o EQ15
[ TS177 ] Animation C1 ENERGY= 593.2 kJ/mol
Energy+ZPE= 575.5 kJ/mol ZPE= 0.0428025
CONNECTIONS:
o EQ15 o EQ123
[ TS178 ] Animation Cs ENERGY= 251.9 kJ/mol
Energy+ZPE= 240.4 kJ/mol ZPE= 0.0451523
CONNECTIONS:
o EQ15 o DDC38
[ TS179 ] Animation C1 ENERGY= 250.6 kJ/mol
Energy+ZPE= 240.1 kJ/mol ZPE= 0.0455486
CONNECTIONS:
o EQ16 o EQ23
[ TS180 ] Animation C1 ENERGY= 226.1 kJ/mol
Energy+ZPE= 218.3 kJ/mol ZPE= 0.0465802
CONNECTIONS:
o EQ16 o EQ26
[ TS181 ] Animation Cs ENERGY= 193.0 kJ/mol
Energy+ZPE= 178.8 kJ/mol ZPE= 0.0441415
CONNECTIONS:
o EQ16 o DDC39
[ TS182 ] Animation C1 ENERGY= 335.2 kJ/mol
Energy+ZPE= 312.9 kJ/mol ZPE= 0.0410441
CONNECTIONS:
o EQ16 o DDC40
[ TS183 ] Animation C1 ENERGY= 253.9 kJ/mol
Energy+ZPE= 245.1 kJ/mol ZPE= 0.0462144
CONNECTIONS:
o EQ17 o EQ24
[ TS184 ] Animation C1 ENERGY= 225.4 kJ/mol
Energy+ZPE= 219.4 kJ/mol ZPE= 0.0472792
CONNECTIONS:
o EQ17 o EQ25
[ TS185 ] Animation C1 ENERGY= 273.3 kJ/mol
Energy+ZPE= 265.5 kJ/mol ZPE= 0.0465880
CONNECTIONS:
o EQ17 o EQ28
[ TS186 ] Animation C1 ENERGY= 274.8 kJ/mol
Energy+ZPE= 267.2 kJ/mol ZPE= 0.0466712
CONNECTIONS:
o EQ17 o EQ29
[ TS187 ] Animation Cs ENERGY= 790.2 kJ/mol
Energy+ZPE= 768.5 kJ/mol ZPE= 0.0412726
CONNECTIONS:
o EQ17 o EQ266
[ TS188 ] Animation Cs ENERGY= 197.0 kJ/mol
Energy+ZPE= 183.7 kJ/mol ZPE= 0.0444962
CONNECTIONS:
o EQ17 o DDC41
[ TS189 ] Animation C1 ENERGY= 248.8 kJ/mol
Energy+ZPE= 240.6 kJ/mol ZPE= 0.0464183
CONNECTIONS:
o EQ19 o EQ20
[ TS190 ] Animation C1 ENERGY= 255.9 kJ/mol
Energy+ZPE= 244.4 kJ/mol ZPE= 0.0451740
CONNECTIONS:
o EQ19 o EQ22
[ TS191 ] Animation C1 ENERGY= 293.0 kJ/mol
Energy+ZPE= 280.6 kJ/mol ZPE= 0.0448305
CONNECTIONS:
o EQ19 o EQ27
[ TS192 ] Animation C1 ENERGY= 248.9 kJ/mol
Energy+ZPE= 240.0 kJ/mol ZPE= 0.0461544
CONNECTIONS:
o EQ19 o EQ30
[ TS193 ] Animation Cs ENERGY= 213.7 kJ/mol
Energy+ZPE= 199.2 kJ/mol ZPE= 0.0440307
CONNECTIONS:
o EQ19 o DDC42
[ TS194 ] Animation C1 ENERGY= 334.3 kJ/mol
Energy+ZPE= 314.7 kJ/mol ZPE= 0.0420648
CONNECTIONS:
o EQ19 o DDC43
[ TS195 ] Animation C1 ENERGY= 396.8 kJ/mol
Energy+ZPE= 370.4 kJ/mol ZPE= 0.0394932
CONNECTIONS:
o EQ19 o DDC44
[ TS196 ] Animation C1 ENERGY= 399.4 kJ/mol
Energy+ZPE= 374.1 kJ/mol ZPE= 0.0399082
CONNECTIONS:
o EQ19 o DDC45
[ TS197 ] Animation Cs ENERGY= 577.4 kJ/mol
Energy+ZPE= 538.0 kJ/mol ZPE= 0.0345416
CONNECTIONS:
o EQ19 o DDC46
[ TS198 ] Animation C2h ENERGY= 446.6 kJ/mol
Energy+ZPE= 431.8 kJ/mol ZPE= 0.0438994
CONNECTIONS:
o EQ20 o EQ20
[ TS199 ] Animation C1 ENERGY= 292.4 kJ/mol
Energy+ZPE= 280.2 kJ/mol ZPE= 0.0449125
CONNECTIONS:
o EQ20 o EQ21
[ TS200 ] Animation C1 ENERGY= 292.6 kJ/mol
Energy+ZPE= 280.5 kJ/mol ZPE= 0.0449212
CONNECTIONS:
o EQ20 o EQ21
[ TS201 ] Animation C1 ENERGY= 214.6 kJ/mol
Energy+ZPE= 207.9 kJ/mol ZPE= 0.0469895
CONNECTIONS:
o EQ20 o EQ23
[ TS202 ] Animation C1 ENERGY= 257.4 kJ/mol
Energy+ZPE= 246.2 kJ/mol ZPE= 0.0452895
CONNECTIONS:
o EQ20 o EQ26
[ TS203 ] Animation C1 ENERGY= 319.6 kJ/mol
Energy+ZPE= 308.3 kJ/mol ZPE= 0.0452522
CONNECTIONS:
o EQ20 o EQ26
[ TS204 ] Animation C1 ENERGY= 348.2 kJ/mol
Energy+ZPE= 335.2 kJ/mol ZPE= 0.0445965
CONNECTIONS:
o EQ20 o EQ28
[ TS205 ] Animation C1 ENERGY= 862.3 kJ/mol
Energy+ZPE= 835.3 kJ/mol ZPE= 0.0392488
CONNECTIONS:
o EQ20 o EQ282
[ TS206 ] Animation C1 ENERGY= 328.1 kJ/mol
Energy+ZPE= 306.4 kJ/mol ZPE= 0.0412650
CONNECTIONS:
o EQ20 o DDC47
[ TS207 ] Animation C1 ENERGY= 215.4 kJ/mol
Energy+ZPE= 210.6 kJ/mol ZPE= 0.0477017
CONNECTIONS:
o EQ21 o EQ24
[ TS208 ] Animation Cs ENERGY= 368.1 kJ/mol
Energy+ZPE= 351.3 kJ/mol ZPE= 0.0431546
CONNECTIONS:
o EQ21 o EQ24
[ TS209 ] Animation C1 ENERGY= 257.6 kJ/mol
Energy+ZPE= 248.2 kJ/mol ZPE= 0.0459708
CONNECTIONS:
o EQ21 o EQ25
[ TS210 ] Animation Cs ENERGY= 437.8 kJ/mol
Energy+ZPE= 424.6 kJ/mol ZPE= 0.0445259
CONNECTIONS:
o EQ21 o EQ26
[ TS211 ] Animation C1 ENERGY= 244.6 kJ/mol
Energy+ZPE= 238.6 kJ/mol ZPE= 0.0472550
CONNECTIONS:
o EQ21 o EQ27
[ TS212 ] Animation C1 ENERGY= 941.1 kJ/mol
Energy+ZPE= 922.7 kJ/mol ZPE= 0.0425347
CONNECTIONS:
o EQ21 o EQ256
[ TS213 ] Animation C1 ENERGY= 881.0 kJ/mol
Energy+ZPE= 857.6 kJ/mol ZPE= 0.0406160
CONNECTIONS:
o EQ21 o EQ288
[ TS214 ] Animation C1 ENERGY= 256.1 kJ/mol
Energy+ZPE= 247.1 kJ/mol ZPE= 0.0461009
CONNECTIONS:
o EQ22 o EQ26
[ TS215 ] Animation C1 ENERGY= 299.2 kJ/mol
Energy+ZPE= 286.0 kJ/mol ZPE= 0.0445360
CONNECTIONS:
o EQ22 o EQ28
[ TS216 ] Animation C1 ENERGY= 315.9 kJ/mol
Energy+ZPE= 301.7 kJ/mol ZPE= 0.0441561
CONNECTIONS:
o EQ22 o EQ28
[ TS217 ] Animation C1 ENERGY= 306.0 kJ/mol
Energy+ZPE= 292.8 kJ/mol ZPE= 0.0445147
CONNECTIONS:
o EQ22 o EQ29
[ TS218 ] Animation C1 ENERGY= 281.7 kJ/mol
Energy+ZPE= 269.9 kJ/mol ZPE= 0.0450639
CONNECTIONS:
o EQ22 o EQ30
[ TS219 ] Animation C1 ENERGY= 952.9 kJ/mol
Energy+ZPE= 923.8 kJ/mol ZPE= 0.0384670
CONNECTIONS:
o EQ22 o EQ287
[ TS220 ] Animation Cs ENERGY= 214.2 kJ/mol
Energy+ZPE= 200.0 kJ/mol ZPE= 0.0441340
CONNECTIONS:
o EQ22 o DDC48
[ TS221 ] Animation C1 ENERGY= 334.6 kJ/mol
Energy+ZPE= 315.4 kJ/mol ZPE= 0.0422286
CONNECTIONS:
o EQ22 o DDC49
[ TS222 ] Animation C1 ENERGY= 358.1 kJ/mol
Energy+ZPE= 335.2 kJ/mol ZPE= 0.0408068
CONNECTIONS:
o EQ22 o DDC50
[ TS223 ] Animation C1 ENERGY= 254.5 kJ/mol
Energy+ZPE= 245.7 kJ/mol ZPE= 0.0461958
CONNECTIONS:
o EQ23 o EQ30
[ TS224 ] Animation C1 ENERGY= 761.9 kJ/mol
Energy+ZPE= 737.2 kJ/mol ZPE= 0.0401396
CONNECTIONS:
o EQ23 o EQ195
[ TS225 ] Animation C1 ENERGY= 939.0 kJ/mol
Energy+ZPE= 918.6 kJ/mol ZPE= 0.0417942
CONNECTIONS:
o EQ23 o EQ253
[ TS226 ] Animation C1 ENERGY= 325.4 kJ/mol
Energy+ZPE= 304.1 kJ/mol ZPE= 0.0414227
CONNECTIONS:
o EQ23 o DDC51
[ TS227 ] Animation C1 ENERGY= 374.7 kJ/mol
Energy+ZPE= 359.6 kJ/mol ZPE= 0.0438136
CONNECTIONS:
o EQ23 o DDC52
[ TS228 ] Animation C1 ENERGY= 405.9 kJ/mol
Energy+ZPE= 388.3 kJ/mol ZPE= 0.0428619
CONNECTIONS:
o EQ23 o DDC53
[ TS229 ] Animation Cs ENERGY= 213.6 kJ/mol
Energy+ZPE= 208.9 kJ/mol ZPE= 0.0477486
CONNECTIONS:
o EQ24 o EQ24
[ TS230 ] Animation C1 ENERGY= 249.2 kJ/mol
Energy+ZPE= 242.8 kJ/mol ZPE= 0.0470928
CONNECTIONS:
o EQ24 o EQ27
[ TS231 ] Animation C1 ENERGY= 764.3 kJ/mol
Energy+ZPE= 741.5 kJ/mol ZPE= 0.0408798
CONNECTIONS:
o EQ24 o EQ197
[ TS232 ] Animation C1 ENERGY= 767.8 kJ/mol
Energy+ZPE= 744.3 kJ/mol ZPE= 0.0406110
CONNECTIONS:
o EQ24 o EQ197
[ TS233 ] Animation C1 ENERGY= 384.4 kJ/mol
Energy+ZPE= 371.3 kJ/mol ZPE= 0.0445609
CONNECTIONS:
o EQ24 o DDC54
[ TS234 ] Animation C1 ENERGY= 300.1 kJ/mol
Energy+ZPE= 287.0 kJ/mol ZPE= 0.0445595
CONNECTIONS:
o EQ25 o EQ26
[ TS235 ] Animation C1 ENERGY= 252.8 kJ/mol
Energy+ZPE= 245.8 kJ/mol ZPE= 0.0468781
CONNECTIONS:
o EQ25 o EQ28
[ TS236 ] Animation C1 ENERGY= 746.0 kJ/mol
Energy+ZPE= 714.7 kJ/mol ZPE= 0.0376154
CONNECTIONS:
o EQ25 o EQ129
[ TS237 ] Animation Cs ENERGY= 798.1 kJ/mol
Energy+ZPE= 775.3 kJ/mol ZPE= 0.0408683
CONNECTIONS:
o EQ25 o EQ284
[ TS238 ] Animation C1 ENERGY= 359.0 kJ/mol
Energy+ZPE= 337.7 kJ/mol ZPE= 0.0414322
CONNECTIONS:
o EQ25 o DDC55
[ TS239 ] Animation C1 ENERGY= 349.2 kJ/mol
Energy+ZPE= 335.9 kJ/mol ZPE= 0.0444800
CONNECTIONS:
o EQ26 o EQ27
[ TS240 ] Animation Cs ENERGY= 920.0 kJ/mol
Energy+ZPE= 892.3 kJ/mol ZPE= 0.0389881
CONNECTIONS:
o EQ26 o EQ248
[ TS241 ] Animation Cs ENERGY= 795.9 kJ/mol
Energy+ZPE= 771.3 kJ/mol ZPE= 0.0401789
CONNECTIONS:
o EQ26 o EQ282
[ TS242 ] Animation C1 ENERGY= 862.4 kJ/mol
Energy+ZPE= 836.6 kJ/mol ZPE= 0.0397341
CONNECTIONS:
o EQ26 o EQ284
[ TS243 ] Animation C1 ENERGY= 344.1 kJ/mol
Energy+ZPE= 322.1 kJ/mol ZPE= 0.0411505
CONNECTIONS:
o EQ26 o DDC56
[ TS244 ] Animation C1 ENERGY= 366.8 kJ/mol
Energy+ZPE= 342.9 kJ/mol ZPE= 0.0404470
CONNECTIONS:
o EQ26 o DDC57
[ TS245 ] Animation Cs ENERGY= 228.2 kJ/mol
Energy+ZPE= 222.9 kJ/mol ZPE= 0.0475362
CONNECTIONS:
o EQ27 o EQ27
[ TS246 ] Animation Cs ENERGY= 238.6 kJ/mol
Energy+ZPE= 232.8 kJ/mol ZPE= 0.0473328
CONNECTIONS:
o EQ27 o EQ27
[ TS247 ] Animation C1 ENERGY= 384.5 kJ/mol
Energy+ZPE= 366.7 kJ/mol ZPE= 0.0427512
CONNECTIONS:
o EQ27 o EQ27
[ TS248 ] Animation C1 ENERGY= 264.1 kJ/mol
Energy+ZPE= 254.1 kJ/mol ZPE= 0.0457407
CONNECTIONS:
o EQ27 o EQ28
[ TS249 ] Animation C1 ENERGY= 270.4 kJ/mol
Energy+ZPE= 259.8 kJ/mol ZPE= 0.0455265
CONNECTIONS:
o EQ27 o EQ28
[ TS250 ] Animation C1 ENERGY= 328.9 kJ/mol
Energy+ZPE= 319.0 kJ/mol ZPE= 0.0457694
CONNECTIONS:
o EQ27 o EQ28
[ TS251 ] Animation C1 ENERGY= 297.5 kJ/mol
Energy+ZPE= 284.8 kJ/mol ZPE= 0.0446939
CONNECTIONS:
o EQ27 o EQ30
[ TS252 ] Animation C1 ENERGY= 926.6 kJ/mol
Energy+ZPE= 905.0 kJ/mol ZPE= 0.0413248
CONNECTIONS:
o EQ27 o EQ273
[ TS253 ] Animation C1 ENERGY= 980.5 kJ/mol
Energy+ZPE= 963.0 kJ/mol ZPE= 0.0428839
CONNECTIONS:
o EQ27 o EQ418
[ TS254 ] Animation C1 ENERGY= 367.0 kJ/mol
Energy+ZPE= 351.9 kJ/mol ZPE= 0.0437800
CONNECTIONS:
o EQ27 o DDC58
[ TS255 ] Animation C1 ENERGY= 369.8 kJ/mol
Energy+ZPE= 354.3 kJ/mol ZPE= 0.0436623
CONNECTIONS:
o EQ27 o DDC59
[ TS256 ] Animation C1 ENERGY= 391.8 kJ/mol
Energy+ZPE= 378.0 kJ/mol ZPE= 0.0442836
CONNECTIONS:
o EQ27 o DDC60
[ TS257 ] Animation C1 ENERGY= 575.1 kJ/mol
Energy+ZPE= 536.0 kJ/mol ZPE= 0.0346461
CONNECTIONS:
o EQ27 o DDC61
[ TS258 ] Animation C1 ENERGY= 1099.7 kJ/mol
Energy+ZPE= 1077.5 kJ/mol ZPE= 0.0411079
CONNECTIONS:
o EQ27 o DDC62
[ TS259 ] Animation Cs ENERGY= 231.7 kJ/mol
Energy+ZPE= 225.6 kJ/mol ZPE= 0.0472322
CONNECTIONS:
o EQ28 o EQ28
[ TS260 ] Animation C1 ENERGY= 235.3 kJ/mol
Energy+ZPE= 228.4 kJ/mol ZPE= 0.0469099
CONNECTIONS:
o EQ28 o EQ29
[ TS261 ] Animation C1 ENERGY= 564.8 kJ/mol
Energy+ZPE= 550.6 kJ/mol ZPE= 0.0441492
CONNECTIONS:
o EQ28 o EQ37
[ TS262 ] Animation C1 ENERGY= 923.6 kJ/mol
Energy+ZPE= 897.7 kJ/mol ZPE= 0.0396706
CONNECTIONS:
o EQ28 o EQ264
[ TS263 ] Animation C1 ENERGY= 351.3 kJ/mol
Energy+ZPE= 330.4 kJ/mol ZPE= 0.0415958
CONNECTIONS:
o EQ28 o DDC63
[ TS264 ] Animation C1 ENERGY= 357.0 kJ/mol
Energy+ZPE= 340.8 kJ/mol ZPE= 0.0433924
CONNECTIONS:
o EQ28 o DDC64
[ TS265 ] Animation C1 ENERGY= 475.3 kJ/mol
Energy+ZPE= 456.3 kJ/mol ZPE= 0.0423019
CONNECTIONS:
o EQ28 o DDC65
[ TS266 ] Animation C1 ENERGY= 921.4 kJ/mol
Energy+ZPE= 895.6 kJ/mol ZPE= 0.0397348
CONNECTIONS:
o EQ29 o EQ252
[ TS267 ] Animation C1 ENERGY= 286.3 kJ/mol
Energy+ZPE= 264.3 kJ/mol ZPE= 0.0411743
CONNECTIONS:
o EQ29 o DDC66
[ TS268 ] Animation Cs ENERGY= 236.8 kJ/mol
Energy+ZPE= 228.7 kJ/mol ZPE= 0.0464766
CONNECTIONS:
o EQ30 o EQ30
[ TS269 ] Animation C1 ENERGY= 274.9 kJ/mol
Energy+ZPE= 255.1 kJ/mol ZPE= 0.0420040
CONNECTIONS:
o EQ30 o DDC67
[ TS270 ] Animation C1 ENERGY= 384.4 kJ/mol
Energy+ZPE= 358.4 kJ/mol ZPE= 0.0396346
CONNECTIONS:
o EQ30 o DDC68
[ TS271 ] Animation C2h ENERGY= 283.1 kJ/mol
Energy+ZPE= 275.1 kJ/mol ZPE= 0.0465008
CONNECTIONS:
o EQ31 o EQ31
[ TS272 ] Animation C2v ENERGY= 335.9 kJ/mol
Energy+ZPE= 324.9 kJ/mol ZPE= 0.0453657
CONNECTIONS:
o EQ31 o EQ31
[ TS273 ] Animation C2 ENERGY= 408.6 kJ/mol
Energy+ZPE= 388.9 kJ/mol ZPE= 0.0420408
CONNECTIONS:
o EQ31 o EQ31
[ TS274 ] Animation C2h ENERGY= 416.4 kJ/mol
Energy+ZPE= 397.2 kJ/mol ZPE= 0.0422262
CONNECTIONS:
o EQ31 o EQ31
[ TS275 ] Animation Cs ENERGY= 528.3 kJ/mol
Energy+ZPE= 517.7 kJ/mol ZPE= 0.0455214
CONNECTIONS:
o EQ31 o EQ31
[ TS276 ] Animation Cs ENERGY= 634.8 kJ/mol
Energy+ZPE= 623.0 kJ/mol ZPE= 0.0450692
CONNECTIONS:
o EQ31 o EQ31
[ TS277 ] Animation C2v ENERGY= 673.0 kJ/mol
Energy+ZPE= 659.6 kJ/mol ZPE= 0.0444248
CONNECTIONS:
o EQ31 o EQ31
[ TS278 ] Animation Cs ENERGY= 702.1 kJ/mol
Energy+ZPE= 686.6 kJ/mol ZPE= 0.0436452
CONNECTIONS:
o EQ31 o EQ31
[ TS279 ] Animation C1 ENERGY= 702.3 kJ/mol
Energy+ZPE= 686.8 kJ/mol ZPE= 0.0436315
CONNECTIONS:
o EQ31 o EQ31
[ TS280 ] Animation Cs ENERGY= 1348.7 kJ/mol
Energy+ZPE= 1327.0 kJ/mol ZPE= 0.0412756
CONNECTIONS:
o EQ31 o EQ31
[ TS281 ] Animation C1 ENERGY= 337.6 kJ/mol
Energy+ZPE= 327.0 kJ/mol ZPE= 0.0454937
CONNECTIONS:
o EQ31 o EQ33
[ TS282 ] Animation C1 ENERGY= 564.4 kJ/mol
Energy+ZPE= 545.1 kJ/mol ZPE= 0.0421783
CONNECTIONS:
o EQ31 o EQ33
[ TS283 ] Animation C1 ENERGY= 545.1 kJ/mol
Energy+ZPE= 532.6 kJ/mol ZPE= 0.0447710
CONNECTIONS:
o EQ31 o EQ52
[ TS284 ] Animation C1 ENERGY= 534.2 kJ/mol
Energy+ZPE= 520.9 kJ/mol ZPE= 0.0444912
CONNECTIONS:
o EQ31 o EQ53
[ TS285 ] Animation C1 ENERGY= 502.4 kJ/mol
Energy+ZPE= 492.9 kJ/mol ZPE= 0.0459132
CONNECTIONS:
o EQ31 o EQ84
[ TS286 ] Animation C1 ENERGY= 558.2 kJ/mol
Energy+ZPE= 550.1 kJ/mol ZPE= 0.0464702
CONNECTIONS:
o EQ31 o EQ91
[ TS287 ] Animation C1 ENERGY= 564.3 kJ/mol
Energy+ZPE= 549.6 kJ/mol ZPE= 0.0439507
CONNECTIONS:
o EQ31 o EQ125
[ TS288 ] Animation C1 ENERGY= 571.3 kJ/mol
Energy+ZPE= 555.5 kJ/mol ZPE= 0.0435446
CONNECTIONS:
o EQ31 o EQ125
[ TS289 ] Animation C1 ENERGY= 607.0 kJ/mol
Energy+ZPE= 591.3 kJ/mol ZPE= 0.0435754
CONNECTIONS:
o EQ31 o EQ147
[ TS290 ] Animation C1 ENERGY= 611.7 kJ/mol
Energy+ZPE= 595.2 kJ/mol ZPE= 0.0432748
CONNECTIONS:
o EQ31 o EQ147
[ TS291 ] Animation C1 ENERGY= 676.0 kJ/mol
Energy+ZPE= 659.3 kJ/mol ZPE= 0.0431757
CONNECTIONS:
o EQ31 o EQ147
[ TS292 ] Animation C1 ENERGY= 888.7 kJ/mol
Energy+ZPE= 873.2 kJ/mol ZPE= 0.0436451
CONNECTIONS:
o EQ31 o EQ280
[ TS293 ] Animation C1 ENERGY= 1070.4 kJ/mol
Energy+ZPE= 1051.7 kJ/mol ZPE= 0.0424196
CONNECTIONS:
o EQ31 o EQ399
[ TS294 ] Animation C1 ENERGY= 976.2 kJ/mol
Energy+ZPE= 956.1 kJ/mol ZPE= 0.0418905
CONNECTIONS:
o EQ31 o EQ412
[ TS295 ] Animation C1 ENERGY= 1398.6 kJ/mol
Energy+ZPE= 1373.4 kJ/mol ZPE= 0.0399343
CONNECTIONS:
o EQ31 o EQ522
[ TS296 ] Animation C1 ENERGY= 1406.7 kJ/mol
Energy+ZPE= 1379.5 kJ/mol ZPE= 0.0391760
CONNECTIONS:
o EQ31 o EQ562
[ TS297 ] Animation Cs ENERGY= 1410.8 kJ/mol
Energy+ZPE= 1384.3 kJ/mol ZPE= 0.0394723
CONNECTIONS:
o EQ31 o EQ566
[ TS298 ] Animation Cs ENERGY= 1453.1 kJ/mol
Energy+ZPE= 1423.8 kJ/mol ZPE= 0.0383980
CONNECTIONS:
o EQ31 o EQ575
[ TS299 ] Animation C1 ENERGY= 464.5 kJ/mol
Energy+ZPE= 439.4 kJ/mol ZPE= 0.0399946
CONNECTIONS:
o EQ31 o DDC69
[ TS300 ] Animation C1 ENERGY= 549.8 kJ/mol
Energy+ZPE= 526.0 kJ/mol ZPE= 0.0404989
CONNECTIONS:
o EQ31 o DDC70
[ TS301 ] Animation C1 ENERGY= 871.3 kJ/mol
Energy+ZPE= 844.8 kJ/mol ZPE= 0.0394489
CONNECTIONS:
o EQ31 o DDC71
[ TS302 ] Animation C1 ENERGY= 1130.8 kJ/mol
Energy+ZPE= 1112.7 kJ/mol ZPE= 0.0426605
CONNECTIONS:
o EQ31 o DDC72
[ TS303 ] Animation C1 ENERGY= 1675.6 kJ/mol
Energy+ZPE= 1641.1 kJ/mol ZPE= 0.0364020
CONNECTIONS:
o EQ31 o DDC73
[ TS304 ] Animation Cs ENERGY= 293.5 kJ/mol
Energy+ZPE= 292.4 kJ/mol ZPE= 0.0491168
CONNECTIONS:
o EQ32 o EQ32
[ TS305 ] Animation C1 ENERGY= 751.9 kJ/mol
Energy+ZPE= 740.4 kJ/mol ZPE= 0.0451716
CONNECTIONS:
o EQ32 o EQ66
[ TS306 ] Animation C1 ENERGY= 489.5 kJ/mol
Energy+ZPE= 469.1 kJ/mol ZPE= 0.0417850
CONNECTIONS:
o EQ32 o EQ83
[ TS307 ] Animation C1 ENERGY= 585.9 kJ/mol
Energy+ZPE= 579.3 kJ/mol ZPE= 0.0470244
CONNECTIONS:
o EQ32 o EQ145
[ TS308 ] Animation C1 ENERGY= 612.8 kJ/mol
Energy+ZPE= 589.5 kJ/mol ZPE= 0.0406698
CONNECTIONS:
o EQ32 o EQ153
[ TS309 ] Animation C1 ENERGY= 438.3 kJ/mol
Energy+ZPE= 427.3 kJ/mol ZPE= 0.0453440
CONNECTIONS:
o EQ32 o DDC74
[ TS310 ] Animation C1 ENERGY= 463.1 kJ/mol
Energy+ZPE= 447.8 kJ/mol ZPE= 0.0437237
CONNECTIONS:
o EQ32 o DDC75
[ TS311 ] Animation C1 ENERGY= 478.0 kJ/mol
Energy+ZPE= 457.6 kJ/mol ZPE= 0.0417765
CONNECTIONS:
o EQ32 o DDC76
[ TS312 ] Animation C1 ENERGY= 568.9 kJ/mol
Energy+ZPE= 552.6 kJ/mol ZPE= 0.0433227
CONNECTIONS:
o EQ32 o DDC77
[ TS313 ] Animation C1 ENERGY= 594.1 kJ/mol
Energy+ZPE= 573.4 kJ/mol ZPE= 0.0416648
CONNECTIONS:
o EQ32 o DDC78
[ TS314 ] Animation C1 ENERGY= 686.2 kJ/mol
Energy+ZPE= 662.0 kJ/mol ZPE= 0.0403391
CONNECTIONS:
o EQ32 o DDC79
[ TS315 ] Animation C1 ENERGY= 289.0 kJ/mol
Energy+ZPE= 280.2 kJ/mol ZPE= 0.0462013
CONNECTIONS:
o EQ33 o EQ33
[ TS316 ] Animation Cs ENERGY= 320.4 kJ/mol
Energy+ZPE= 310.5 kJ/mol ZPE= 0.0457783
CONNECTIONS:
o EQ33 o EQ33
[ TS317 ] Animation C1 ENERGY= 443.0 kJ/mol
Energy+ZPE= 426.5 kJ/mol ZPE= 0.0432572
CONNECTIONS:
o EQ33 o EQ33
[ TS318 ] Animation C1 ENERGY= 542.6 kJ/mol
Energy+ZPE= 527.8 kJ/mol ZPE= 0.0439187
CONNECTIONS:
o EQ33 o EQ33
[ TS319 ] Animation Cs ENERGY= 552.6 kJ/mol
Energy+ZPE= 537.6 kJ/mol ZPE= 0.0438517
CONNECTIONS:
o EQ33 o EQ33
[ TS320 ] Animation C1 ENERGY= 337.2 kJ/mol
Energy+ZPE= 326.2 kJ/mol ZPE= 0.0453584
CONNECTIONS:
o EQ33 o EQ34
[ TS321 ] Animation C1 ENERGY= 343.6 kJ/mol
Energy+ZPE= 332.0 kJ/mol ZPE= 0.0451376
CONNECTIONS:
o EQ33 o EQ34
[ TS322 ] Animation C1 ENERGY= 581.5 kJ/mol
Energy+ZPE= 561.7 kJ/mol ZPE= 0.0420045
CONNECTIONS:
o EQ33 o EQ34
[ TS323 ] Animation C1 ENERGY= 466.6 kJ/mol
Energy+ZPE= 456.8 kJ/mol ZPE= 0.0458028
CONNECTIONS:
o EQ33 o EQ46
[ TS324 ] Animation C1 ENERGY= 528.3 kJ/mol
Energy+ZPE= 514.9 kJ/mol ZPE= 0.0444603
CONNECTIONS:
o EQ33 o EQ52
[ TS325 ] Animation C1 ENERGY= 592.8 kJ/mol
Energy+ZPE= 573.9 kJ/mol ZPE= 0.0423489
CONNECTIONS:
o EQ33 o EQ54
[ TS326 ] Animation C1 ENERGY= 583.3 kJ/mol
Energy+ZPE= 552.8 kJ/mol ZPE= 0.0379204
CONNECTIONS:
o EQ33 o EQ55
[ TS327 ] Animation C1 ENERGY= 635.2 kJ/mol
Energy+ZPE= 609.9 kJ/mol ZPE= 0.0399078
CONNECTIONS:
o EQ33 o EQ71
[ TS328 ] Animation C1 ENERGY= 475.7 kJ/mol
Energy+ZPE= 465.0 kJ/mol ZPE= 0.0454681
CONNECTIONS:
o EQ33 o EQ74
[ TS329 ] Animation C1 ENERGY= 619.6 kJ/mol
Energy+ZPE= 603.0 kJ/mol ZPE= 0.0432073
CONNECTIONS:
o EQ33 o EQ92
[ TS330 ] Animation Cs ENERGY= 525.5 kJ/mol
Energy+ZPE= 507.9 kJ/mol ZPE= 0.0428297
CONNECTIONS:
o EQ33 o EQ108
[ TS331 ] Animation C1 ENERGY= 549.9 kJ/mol
Energy+ZPE= 534.1 kJ/mol ZPE= 0.0435145
CONNECTIONS:
o EQ33 o EQ121
[ TS332 ] Animation C1 ENERGY= 572.8 kJ/mol
Energy+ZPE= 549.9 kJ/mol ZPE= 0.0408372
CONNECTIONS:
o EQ33 o EQ135
[ TS333 ] Animation C1 ENERGY= 688.9 kJ/mol
Energy+ZPE= 677.5 kJ/mol ZPE= 0.0452206
CONNECTIONS:
o EQ33 o EQ191
[ TS334 ] Animation C1 ENERGY= 987.0 kJ/mol
Energy+ZPE= 969.6 kJ/mol ZPE= 0.0429117
CONNECTIONS:
o EQ33 o EQ351
[ TS335 ] Animation C1 ENERGY= 961.5 kJ/mol
Energy+ZPE= 937.3 kJ/mol ZPE= 0.0403358
CONNECTIONS:
o EQ33 o EQ413
[ TS336 ] Animation C1 ENERGY= 961.7 kJ/mol
Energy+ZPE= 937.0 kJ/mol ZPE= 0.0401227
CONNECTIONS:
o EQ33 o EQ413
[ TS337 ] Animation C1 ENERGY= 1286.0 kJ/mol
Energy+ZPE= 1262.8 kJ/mol ZPE= 0.0406961
CONNECTIONS:
o EQ33 o EQ525
[ TS338 ] Animation C1 ENERGY= 1302.5 kJ/mol
Energy+ZPE= 1279.0 kJ/mol ZPE= 0.0406133
CONNECTIONS:
o EQ33 o EQ526
[ TS339 ] Animation Cs ENERGY= 463.8 kJ/mol
Energy+ZPE= 442.2 kJ/mol ZPE= 0.0413126
CONNECTIONS:
o EQ33 o DDC80
[ TS340 ] Animation C1 ENERGY= 548.9 kJ/mol
Energy+ZPE= 525.0 kJ/mol ZPE= 0.0404371
CONNECTIONS:
o EQ33 o DDC81
[ TS341 ] Animation C1 ENERGY= 549.3 kJ/mol
Energy+ZPE= 524.8 kJ/mol ZPE= 0.0402148
CONNECTIONS:
o EQ33 o DDC82
[ TS342 ] Animation C1 ENERGY= 560.9 kJ/mol
Energy+ZPE= 540.4 kJ/mol ZPE= 0.0417309
CONNECTIONS:
o EQ33 o DDC83
[ TS343 ] Animation C1 ENERGY= 726.4 kJ/mol
Energy+ZPE= 699.5 kJ/mol ZPE= 0.0393168
CONNECTIONS:
o EQ33 o DDC84
[ TS344 ] Animation C1 ENERGY= 1017.5 kJ/mol
Energy+ZPE= 979.2 kJ/mol ZPE= 0.0349735
CONNECTIONS:
o EQ33 o DDC85
[ TS345 ] Animation C2h ENERGY= 289.9 kJ/mol
Energy+ZPE= 280.5 kJ/mol ZPE= 0.0459514
CONNECTIONS:
o EQ34 o EQ34
[ TS346 ] Animation C1 ENERGY= 574.3 kJ/mol
Energy+ZPE= 556.1 kJ/mol ZPE= 0.0426192
CONNECTIONS:
o EQ34 o EQ52
[ TS347 ] Animation C1 ENERGY= 639.9 kJ/mol
Energy+ZPE= 613.5 kJ/mol ZPE= 0.0394845
CONNECTIONS:
o EQ34 o EQ79
[ TS348 ] Animation C1 ENERGY= 972.7 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0409613
CONNECTIONS:
o EQ34 o EQ413
[ TS349 ] Animation C1 ENERGY= 598.6 kJ/mol
Energy+ZPE= 577.4 kJ/mol ZPE= 0.0414722
CONNECTIONS:
o EQ34 o DDC86
[ TS350 ] Animation C1 ENERGY= 309.5 kJ/mol
Energy+ZPE= 300.9 kJ/mol ZPE= 0.0462618
CONNECTIONS:
o EQ35 o EQ36
[ TS351 ] Animation Cs ENERGY= 334.1 kJ/mol
Energy+ZPE= 323.3 kJ/mol ZPE= 0.0454351
CONNECTIONS:
o EQ35 o DDC87
[ TS352 ] Animation Cs ENERGY= 389.0 kJ/mol
Energy+ZPE= 377.4 kJ/mol ZPE= 0.0451449
CONNECTIONS:
o EQ35 o DDC88
[ TS353 ] Animation Cs ENERGY= 297.9 kJ/mol
Energy+ZPE= 289.3 kJ/mol ZPE= 0.0462603
CONNECTIONS:
o EQ36 o EQ36
[ TS354 ] Animation C1 ENERGY= 314.8 kJ/mol
Energy+ZPE= 305.7 kJ/mol ZPE= 0.0460940
CONNECTIONS:
o EQ36 o EQ37
[ TS355 ] Animation C1 ENERGY= 916.8 kJ/mol
Energy+ZPE= 883.6 kJ/mol ZPE= 0.0369116
CONNECTIONS:
o EQ36 o EQ136
[ TS356 ] Animation C1 ENERGY= 340.7 kJ/mol
Energy+ZPE= 329.2 kJ/mol ZPE= 0.0451860
CONNECTIONS:
o EQ36 o DDC89
[ TS357 ] Animation Cs ENERGY= 377.9 kJ/mol
Energy+ZPE= 363.2 kJ/mol ZPE= 0.0439420
CONNECTIONS:
o EQ36 o DDC90
[ TS358 ] Animation C1 ENERGY= 399.5 kJ/mol
Energy+ZPE= 386.3 kJ/mol ZPE= 0.0445223
CONNECTIONS:
o EQ36 o DDC91
[ TS359 ] Animation Cs ENERGY= 439.6 kJ/mol
Energy+ZPE= 422.2 kJ/mol ZPE= 0.0429079
CONNECTIONS:
o EQ36 o DDC92
[ TS360 ] Animation C1 ENERGY= 486.9 kJ/mol
Energy+ZPE= 464.9 kJ/mol ZPE= 0.0411628
CONNECTIONS:
o EQ36 o DDC93
[ TS361 ] Animation C1 ENERGY= 967.2 kJ/mol
Energy+ZPE= 946.2 kJ/mol ZPE= 0.0415344
CONNECTIONS:
o EQ36 o DDC94
[ TS362 ] Animation C1 ENERGY= 356.9 kJ/mol
Energy+ZPE= 346.6 kJ/mol ZPE= 0.0456236
CONNECTIONS:
o EQ38 o EQ39
[ TS363 ] Animation C1 ENERGY= 355.8 kJ/mol
Energy+ZPE= 344.5 kJ/mol ZPE= 0.0452566
CONNECTIONS:
o EQ38 o EQ40
[ TS364 ] Animation C1 ENERGY= 750.5 kJ/mol
Energy+ZPE= 732.7 kJ/mol ZPE= 0.0427806
CONNECTIONS:
o EQ38 o EQ40
[ TS365 ] Animation C1 ENERGY= 1061.4 kJ/mol
Energy+ZPE= 1039.8 kJ/mol ZPE= 0.0413083
CONNECTIONS:
o EQ38 o EQ48
[ TS366 ] Animation C1 ENERGY= 404.1 kJ/mol
Energy+ZPE= 392.4 kJ/mol ZPE= 0.0451023
CONNECTIONS:
o EQ38 o EQ50
[ TS367 ] Animation C1 ENERGY= 570.2 kJ/mol
Energy+ZPE= 557.1 kJ/mol ZPE= 0.0445415
CONNECTIONS:
o EQ38 o EQ58
[ TS368 ] Animation C1 ENERGY= 1059.1 kJ/mol
Energy+ZPE= 1034.7 kJ/mol ZPE= 0.0402628
CONNECTIONS:
o EQ38 o EQ62
[ TS369 ] Animation C1 ENERGY= 797.1 kJ/mol
Energy+ZPE= 779.2 kJ/mol ZPE= 0.0427346
CONNECTIONS:
o EQ38 o EQ82
[ TS370 ] Animation C1 ENERGY= 543.2 kJ/mol
Energy+ZPE= 530.1 kJ/mol ZPE= 0.0445664
CONNECTIONS:
o EQ38 o EQ109
[ TS371 ] Animation Cs ENERGY= 637.9 kJ/mol
Energy+ZPE= 622.5 kJ/mol ZPE= 0.0436700
CONNECTIONS:
o EQ38 o EQ113
[ TS372 ] Animation C1 ENERGY= 670.6 kJ/mol
Energy+ZPE= 653.0 kJ/mol ZPE= 0.0428292
CONNECTIONS:
o EQ38 o EQ156
[ TS373 ] Animation C1 ENERGY= 1007.3 kJ/mol
Energy+ZPE= 984.7 kJ/mol ZPE= 0.0409391
CONNECTIONS:
o EQ38 o EQ168
[ TS374 ] Animation C1 ENERGY= 689.2 kJ/mol
Energy+ZPE= 671.7 kJ/mol ZPE= 0.0428890
CONNECTIONS:
o EQ38 o EQ184
[ TS375 ] Animation C1 ENERGY= 859.4 kJ/mol
Energy+ZPE= 837.4 kJ/mol ZPE= 0.0411565
CONNECTIONS:
o EQ38 o EQ301
[ TS376 ] Animation C1 ENERGY= 982.4 kJ/mol
Energy+ZPE= 962.6 kJ/mol ZPE= 0.0420169
CONNECTIONS:
o EQ38 o EQ370
[ TS377 ] Animation C1 ENERGY= 979.9 kJ/mol
Energy+ZPE= 958.9 kJ/mol ZPE= 0.0415439
CONNECTIONS:
o EQ38 o EQ375
[ TS378 ] Animation C1 ENERGY= 1112.8 kJ/mol
Energy+ZPE= 1089.0 kJ/mol ZPE= 0.0404915
CONNECTIONS:
o EQ38 o EQ382
[ TS379 ] Animation C1 ENERGY= 1125.3 kJ/mol
Energy+ZPE= 1101.0 kJ/mol ZPE= 0.0402916
CONNECTIONS:
o EQ38 o EQ420
[ TS380 ] Animation C1 ENERGY= 1066.6 kJ/mol
Energy+ZPE= 1041.9 kJ/mol ZPE= 0.0401374
CONNECTIONS:
o EQ38 o EQ470
[ TS381 ] Animation C1 ENERGY= 1082.2 kJ/mol
Energy+ZPE= 1060.2 kJ/mol ZPE= 0.0411551
CONNECTIONS:
o EQ38 o EQ473
[ TS382 ] Animation C1 ENERGY= 564.1 kJ/mol
Energy+ZPE= 546.3 kJ/mol ZPE= 0.0427816
CONNECTIONS:
o EQ38 o DDC95
[ TS383 ] Animation Cs ENERGY= 577.8 kJ/mol
Energy+ZPE= 550.3 kJ/mol ZPE= 0.0390785
CONNECTIONS:
o EQ38 o DDC96
[ TS384 ] Animation C1 ENERGY= 795.5 kJ/mol
Energy+ZPE= 771.2 kJ/mol ZPE= 0.0402914
CONNECTIONS:
o EQ38 o DDC97
[ TS385 ] Animation C1 ENERGY= 850.1 kJ/mol
Energy+ZPE= 830.9 kJ/mol ZPE= 0.0422494
CONNECTIONS:
o EQ38 o DDC98
[ TS386 ] Animation C1 ENERGY= 986.9 kJ/mol
Energy+ZPE= 964.0 kJ/mol ZPE= 0.0408125
CONNECTIONS:
o EQ38 o DDC99
[ TS387 ] Animation C1 ENERGY= 360.2 kJ/mol
Energy+ZPE= 348.9 kJ/mol ZPE= 0.0452388
CONNECTIONS:
o EQ39 o EQ42
[ TS388 ] Animation C1 ENERGY= 536.6 kJ/mol
Energy+ZPE= 516.5 kJ/mol ZPE= 0.0418881
CONNECTIONS:
o EQ39 o EQ42
[ TS389 ] Animation C1 ENERGY= 406.5 kJ/mol
Energy+ZPE= 394.4 kJ/mol ZPE= 0.0449380
CONNECTIONS:
o EQ39 o EQ45
[ TS390 ] Animation C1 ENERGY= 568.3 kJ/mol
Energy+ZPE= 555.2 kJ/mol ZPE= 0.0445656
CONNECTIONS:
o EQ39 o EQ57
[ TS391 ] Animation C1 ENERGY= 560.9 kJ/mol
Energy+ZPE= 544.1 kJ/mol ZPE= 0.0431535
CONNECTIONS:
o EQ39 o EQ77
[ TS392 ] Animation C1 ENERGY= 529.7 kJ/mol
Energy+ZPE= 517.3 kJ/mol ZPE= 0.0448155
CONNECTIONS:
o EQ39 o EQ82
[ TS393 ] Animation C1 ENERGY= 632.9 kJ/mol
Energy+ZPE= 617.7 kJ/mol ZPE= 0.0437461
CONNECTIONS:
o EQ39 o EQ99
[ TS394 ] Animation C1 ENERGY= 807.5 kJ/mol
Energy+ZPE= 788.9 kJ/mol ZPE= 0.0424635
CONNECTIONS:
o EQ39 o EQ301
[ TS395 ] Animation C1 ENERGY= 1046.5 kJ/mol
Energy+ZPE= 1024.1 kJ/mol ZPE= 0.0410177
CONNECTIONS:
o EQ39 o EQ372
[ TS396 ] Animation C1 ENERGY= 1048.8 kJ/mol
Energy+ZPE= 1025.5 kJ/mol ZPE= 0.0406854
CONNECTIONS:
o EQ39 o EQ375
[ TS397 ] Animation C1 ENERGY= 1067.5 kJ/mol
Energy+ZPE= 1042.1 kJ/mol ZPE= 0.0398795
CONNECTIONS:
o EQ39 o EQ405
[ TS398 ] Animation C1 ENERGY= 993.0 kJ/mol
Energy+ZPE= 973.6 kJ/mol ZPE= 0.0421484
CONNECTIONS:
o EQ39 o EQ423
[ TS399 ] Animation C1 ENERGY= 1306.4 kJ/mol
Energy+ZPE= 1282.9 kJ/mol ZPE= 0.0405841
CONNECTIONS:
o EQ39 o EQ505
[ TS400 ] Animation C1 ENERGY= 1160.8 kJ/mol
Energy+ZPE= 1124.9 kJ/mol ZPE= 0.0358802
CONNECTIONS:
o EQ39 o DDC100
[ TS401 ] Animation C1 ENERGY= 983.4 kJ/mol
Energy+ZPE= 963.2 kJ/mol ZPE= 0.0418712
CONNECTIONS:
o EQ40 o EQ42
[ TS402 ] Animation C1 ENERGY= 403.5 kJ/mol
Energy+ZPE= 391.8 kJ/mol ZPE= 0.0450941
CONNECTIONS:
o EQ40 o EQ43
[ TS403 ] Animation C1 ENERGY= 1066.0 kJ/mol
Energy+ZPE= 1044.5 kJ/mol ZPE= 0.0413427
CONNECTIONS:
o EQ40 o EQ45
[ TS404 ] Animation C1 ENERGY= 1292.0 kJ/mol
Energy+ZPE= 1262.9 kJ/mol ZPE= 0.0384759
CONNECTIONS:
o EQ40 o EQ156
[ TS405 ] Animation C1 ENERGY= 689.5 kJ/mol
Energy+ZPE= 671.9 kJ/mol ZPE= 0.0428536
CONNECTIONS:
o EQ40 o EQ192
[ TS406 ] Animation C1 ENERGY= 969.1 kJ/mol
Energy+ZPE= 947.1 kJ/mol ZPE= 0.0411578
CONNECTIONS:
o EQ40 o EQ423
[ TS407 ] Animation C1 ENERGY= 1066.1 kJ/mol
Energy+ZPE= 1040.9 kJ/mol ZPE= 0.0399642
CONNECTIONS:
o EQ40 o EQ471
[ TS408 ] Animation C1 ENERGY= 1118.8 kJ/mol
Energy+ZPE= 1093.3 kJ/mol ZPE= 0.0398240
CONNECTIONS:
o EQ40 o EQ500
[ TS409 ] Animation Cs ENERGY= 578.5 kJ/mol
Energy+ZPE= 549.5 kJ/mol ZPE= 0.0385015
CONNECTIONS:
o EQ40 o DDC101
[ TS410 ] Animation C1 ENERGY= 582.8 kJ/mol
Energy+ZPE= 560.6 kJ/mol ZPE= 0.0411050
CONNECTIONS:
o EQ40 o DDC102
[ TS411 ] Animation C1 ENERGY= 587.7 kJ/mol
Energy+ZPE= 565.1 kJ/mol ZPE= 0.0409359
CONNECTIONS:
o EQ40 o DDC103
[ TS412 ] Animation Cs ENERGY= 567.2 kJ/mol
Energy+ZPE= 556.4 kJ/mol ZPE= 0.0454409
CONNECTIONS:
o EQ41 o EQ41
[ TS413 ] Animation Cs ENERGY= 609.0 kJ/mol
Energy+ZPE= 596.4 kJ/mol ZPE= 0.0447654
CONNECTIONS:
o EQ41 o EQ41
[ TS414 ] Animation C1 ENERGY= 531.9 kJ/mol
Energy+ZPE= 515.5 kJ/mol ZPE= 0.0432830
CONNECTIONS:
o EQ41 o EQ43
[ TS415 ] Animation C1 ENERGY= 564.2 kJ/mol
Energy+ZPE= 551.4 kJ/mol ZPE= 0.0446588
CONNECTIONS:
o EQ41 o EQ43
[ TS416 ] Animation C1 ENERGY= 375.2 kJ/mol
Energy+ZPE= 368.5 kJ/mol ZPE= 0.0469983
CONNECTIONS:
o EQ41 o EQ44
[ TS417 ] Animation C1 ENERGY= 378.1 kJ/mol
Energy+ZPE= 371.5 kJ/mol ZPE= 0.0470434
CONNECTIONS:
o EQ41 o EQ44
[ TS418 ] Animation C1 ENERGY= 718.8 kJ/mol
Energy+ZPE= 700.6 kJ/mol ZPE= 0.0426087
CONNECTIONS:
o EQ41 o EQ51
[ TS419 ] Animation C1 ENERGY= 534.4 kJ/mol
Energy+ZPE= 521.2 kJ/mol ZPE= 0.0445084
CONNECTIONS:
o EQ41 o EQ56
[ TS420 ] Animation C1 ENERGY= 599.3 kJ/mol
Energy+ZPE= 586.2 kJ/mol ZPE= 0.0445682
CONNECTIONS:
o EQ41 o EQ60
[ TS421 ] Animation Cs ENERGY= 571.6 kJ/mol
Energy+ZPE= 552.8 kJ/mol ZPE= 0.0423976
CONNECTIONS:
o EQ41 o EQ90
[ TS422 ] Animation C1 ENERGY= 624.4 kJ/mol
Energy+ZPE= 606.2 kJ/mol ZPE= 0.0426195
CONNECTIONS:
o EQ41 o EQ90
[ TS423 ] Animation C1 ENERGY= 582.0 kJ/mol
Energy+ZPE= 570.9 kJ/mol ZPE= 0.0453274
CONNECTIONS:
o EQ41 o EQ104
[ TS424 ] Animation C1 ENERGY= 608.9 kJ/mol
Energy+ZPE= 589.1 kJ/mol ZPE= 0.0420091
CONNECTIONS:
o EQ41 o EQ132
[ TS425 ] Animation C1 ENERGY= 666.6 kJ/mol
Energy+ZPE= 649.9 kJ/mol ZPE= 0.0431916
CONNECTIONS:
o EQ41 o EQ133
[ TS426 ] Animation C1 ENERGY= 668.7 kJ/mol
Energy+ZPE= 654.2 kJ/mol ZPE= 0.0440299
CONNECTIONS:
o EQ41 o EQ133
[ TS427 ] Animation C1 ENERGY= 468.2 kJ/mol
Energy+ZPE= 453.7 kJ/mol ZPE= 0.0440264
CONNECTIONS:
o EQ41 o DDC104
[ TS428 ] Animation C1 ENERGY= 476.2 kJ/mol
Energy+ZPE= 461.2 kJ/mol ZPE= 0.0438196
CONNECTIONS:
o EQ41 o DDC105
[ TS429 ] Animation C1 ENERGY= 530.0 kJ/mol
Energy+ZPE= 517.8 kJ/mol ZPE= 0.0449162
CONNECTIONS:
o EQ41 o DDC106
[ TS430 ] Animation C1 ENERGY= 532.1 kJ/mol
Energy+ZPE= 519.4 kJ/mol ZPE= 0.0447059
CONNECTIONS:
o EQ41 o DDC107
[ TS431 ] Animation C1 ENERGY= 542.2 kJ/mol
Energy+ZPE= 529.2 kJ/mol ZPE= 0.0446009
CONNECTIONS:
o EQ41 o DDC108
[ TS432 ] Animation C1 ENERGY= 680.1 kJ/mol
Energy+ZPE= 654.7 kJ/mol ZPE= 0.0398880
CONNECTIONS:
o EQ41 o DDC109
[ TS433 ] Animation C1 ENERGY= 708.2 kJ/mol
Energy+ZPE= 688.0 kJ/mol ZPE= 0.0418633
CONNECTIONS:
o EQ41 o DDC110
[ TS434 ] Animation C1 ENERGY= 819.4 kJ/mol
Energy+ZPE= 800.1 kJ/mol ZPE= 0.0421923
CONNECTIONS:
o EQ41 o DDC111
[ TS435 ] Animation C1 ENERGY= 416.7 kJ/mol
Energy+ZPE= 403.7 kJ/mol ZPE= 0.0445970
CONNECTIONS:
o EQ42 o EQ48
[ TS436 ] Animation C1 ENERGY= 557.2 kJ/mol
Energy+ZPE= 539.3 kJ/mol ZPE= 0.0427447
CONNECTIONS:
o EQ42 o EQ76
[ TS437 ] Animation C1 ENERGY= 1126.6 kJ/mol
Energy+ZPE= 1099.0 kJ/mol ZPE= 0.0390278
CONNECTIONS:
o EQ42 o EQ483
[ TS438 ] Animation C1 ENERGY= 1200.4 kJ/mol
Energy+ZPE= 1172.5 kJ/mol ZPE= 0.0389221
CONNECTIONS:
o EQ42 o EQ499
[ TS439 ] Animation C1 ENERGY= 1126.7 kJ/mol
Energy+ZPE= 1094.8 kJ/mol ZPE= 0.0373920
CONNECTIONS:
o EQ42 o DDC112
[ TS440 ] Animation Cs ENERGY= 368.8 kJ/mol
Energy+ZPE= 359.3 kJ/mol ZPE= 0.0459293
CONNECTIONS:
o EQ43 o EQ43
[ TS441 ] Animation C1 ENERGY= 617.4 kJ/mol
Energy+ZPE= 594.8 kJ/mol ZPE= 0.0409419
CONNECTIONS:
o EQ43 o EQ43
[ TS442 ] Animation C1 ENERGY= 368.4 kJ/mol
Energy+ZPE= 357.4 kJ/mol ZPE= 0.0453402
CONNECTIONS:
o EQ43 o EQ45
[ TS443 ] Animation C1 ENERGY= 373.3 kJ/mol
Energy+ZPE= 361.4 kJ/mol ZPE= 0.0450153
CONNECTIONS:
o EQ43 o EQ50
[ TS444 ] Animation C1 ENERGY= 1058.0 kJ/mol
Energy+ZPE= 1035.4 kJ/mol ZPE= 0.0409332
CONNECTIONS:
o EQ43 o EQ64
[ TS445 ] Animation C1 ENERGY= 820.4 kJ/mol
Energy+ZPE= 792.7 kJ/mol ZPE= 0.0390010
CONNECTIONS:
o EQ43 o EQ103
[ TS446 ] Animation C1 ENERGY= 559.3 kJ/mol
Energy+ZPE= 546.9 kJ/mol ZPE= 0.0448058
CONNECTIONS:
o EQ43 o EQ104
[ TS447 ] Animation C1 ENERGY= 648.8 kJ/mol
Energy+ZPE= 635.0 kJ/mol ZPE= 0.0442752
CONNECTIONS:
o EQ43 o EQ118
[ TS448 ] Animation C1 ENERGY= 603.7 kJ/mol
Energy+ZPE= 591.8 kJ/mol ZPE= 0.0450203
CONNECTIONS:
o EQ43 o EQ150
[ TS449 ] Animation C1 ENERGY= 658.9 kJ/mol
Energy+ZPE= 640.7 kJ/mol ZPE= 0.0426029
CONNECTIONS:
o EQ43 o EQ162
[ TS450 ] Animation C1 ENERGY= 673.9 kJ/mol
Energy+ZPE= 657.0 kJ/mol ZPE= 0.0431217
CONNECTIONS:
o EQ43 o EQ162
[ TS451 ] Animation C1 ENERGY= 674.9 kJ/mol
Energy+ZPE= 657.0 kJ/mol ZPE= 0.0427340
CONNECTIONS:
o EQ43 o EQ166
[ TS452 ] Animation C1 ENERGY= 921.1 kJ/mol
Energy+ZPE= 898.1 kJ/mol ZPE= 0.0407993
CONNECTIONS:
o EQ43 o EQ184
[ TS453 ] Animation C1 ENERGY= 918.1 kJ/mol
Energy+ZPE= 894.6 kJ/mol ZPE= 0.0406074
CONNECTIONS:
o EQ43 o EQ194
[ TS454 ] Animation C1 ENERGY= 811.3 kJ/mol
Energy+ZPE= 791.5 kJ/mol ZPE= 0.0420050
CONNECTIONS:
o EQ43 o EQ201
[ TS455 ] Animation C1 ENERGY= 690.7 kJ/mol
Energy+ZPE= 678.7 kJ/mol ZPE= 0.0449721
CONNECTIONS:
o EQ43 o EQ217
[ TS456 ] Animation C1 ENERGY= 1022.9 kJ/mol
Energy+ZPE= 998.4 kJ/mol ZPE= 0.0402079
CONNECTIONS:
o EQ43 o EQ316
[ TS457 ] Animation C1 ENERGY= 914.3 kJ/mol
Energy+ZPE= 893.3 kJ/mol ZPE= 0.0415483
CONNECTIONS:
o EQ43 o EQ384
[ TS458 ] Animation C1 ENERGY= 1020.9 kJ/mol
Energy+ZPE= 1006.3 kJ/mol ZPE= 0.0439747
CONNECTIONS:
o EQ43 o EQ445
[ TS459 ] Animation C1 ENERGY= 1086.1 kJ/mol
Energy+ZPE= 1069.7 kJ/mol ZPE= 0.0433181
CONNECTIONS:
o EQ43 o EQ447
[ TS460 ] Animation C1 ENERGY= 1328.1 kJ/mol
Energy+ZPE= 1298.7 kJ/mol ZPE= 0.0383531
CONNECTIONS:
o EQ43 o EQ454
[ TS461 ] Animation C1 ENERGY= 1087.5 kJ/mol
Energy+ZPE= 1070.4 kJ/mol ZPE= 0.0430482
CONNECTIONS:
o EQ43 o EQ459
[ TS462 ] Animation C1 ENERGY= 1268.5 kJ/mol
Energy+ZPE= 1240.3 kJ/mol ZPE= 0.0388252
CONNECTIONS:
o EQ43 o EQ466
[ TS463 ] Animation C1 ENERGY= 541.7 kJ/mol
Energy+ZPE= 522.4 kJ/mol ZPE= 0.0421888
CONNECTIONS:
o EQ43 o DDC113
[ TS464 ] Animation C1 ENERGY= 547.2 kJ/mol
Energy+ZPE= 531.0 kJ/mol ZPE= 0.0433958
CONNECTIONS:
o EQ43 o DDC114
[ TS465 ] Animation C1 ENERGY= 558.0 kJ/mol
Energy+ZPE= 540.8 kJ/mol ZPE= 0.0429829
CONNECTIONS:
o EQ43 o DDC115
[ TS466 ] Animation Cs ENERGY= 579.1 kJ/mol
Energy+ZPE= 557.3 kJ/mol ZPE= 0.0412371
CONNECTIONS:
o EQ43 o DDC116
[ TS467 ] Animation C1 ENERGY= 579.7 kJ/mol
Energy+ZPE= 562.7 kJ/mol ZPE= 0.0430881
CONNECTIONS:
o EQ43 o DDC117
[ TS468 ] Animation C1 ENERGY= 591.7 kJ/mol
Energy+ZPE= 575.9 kJ/mol ZPE= 0.0435170
CONNECTIONS:
o EQ43 o DDC118
[ TS469 ] Animation Cs ENERGY= 605.4 kJ/mol
Energy+ZPE= 578.4 kJ/mol ZPE= 0.0392810
CONNECTIONS:
o EQ43 o DDC119
[ TS470 ] Animation C1 ENERGY= 657.5 kJ/mol
Energy+ZPE= 630.6 kJ/mol ZPE= 0.0393020
CONNECTIONS:
o EQ43 o DDC120
[ TS471 ] Animation C1 ENERGY= 704.4 kJ/mol
Energy+ZPE= 685.1 kJ/mol ZPE= 0.0422042
CONNECTIONS:
o EQ43 o DDC121
[ TS472 ] Animation C1 ENERGY= 920.0 kJ/mol
Energy+ZPE= 900.2 kJ/mol ZPE= 0.0420013
CONNECTIONS:
o EQ43 o DDC122
[ TS473 ] Animation C1 ENERGY= 921.7 kJ/mol
Energy+ZPE= 899.3 kJ/mol ZPE= 0.0410090
CONNECTIONS:
o EQ43 o DDC123
[ TS474 ] Animation C1 ENERGY= 929.9 kJ/mol
Energy+ZPE= 908.6 kJ/mol ZPE= 0.0414276
CONNECTIONS:
o EQ43 o DDC124
[ TS475 ] Animation C1 ENERGY= 1142.5 kJ/mol
Energy+ZPE= 1111.4 kJ/mol ZPE= 0.0376874
CONNECTIONS:
o EQ43 o DDC125
[ TS476 ] Animation Cs ENERGY= 601.8 kJ/mol
Energy+ZPE= 589.6 kJ/mol ZPE= 0.0449102
CONNECTIONS:
o EQ44 o EQ44
[ TS477 ] Animation Cs ENERGY= 632.7 kJ/mol
Energy+ZPE= 619.0 kJ/mol ZPE= 0.0443334
CONNECTIONS:
o EQ44 o EQ44
[ TS478 ] Animation C1 ENERGY= 649.3 kJ/mol
Energy+ZPE= 634.3 kJ/mol ZPE= 0.0438258
CONNECTIONS:
o EQ44 o EQ64
[ TS479 ] Animation C1 ENERGY= 607.4 kJ/mol
Energy+ZPE= 594.0 kJ/mol ZPE= 0.0444399
CONNECTIONS:
o EQ44 o EQ75
[ TS480 ] Animation C1 ENERGY= 626.7 kJ/mol
Energy+ZPE= 608.5 kJ/mol ZPE= 0.0426201
CONNECTIONS:
o EQ44 o EQ99
[ TS481 ] Animation C1 ENERGY= 611.4 kJ/mol
Energy+ZPE= 599.3 kJ/mol ZPE= 0.0449303
CONNECTIONS:
o EQ44 o EQ107
[ TS482 ] Animation C1 ENERGY= 623.1 kJ/mol
Energy+ZPE= 610.4 kJ/mol ZPE= 0.0446957
CONNECTIONS:
o EQ44 o EQ107
[ TS483 ] Animation C1 ENERGY= 613.7 kJ/mol
Energy+ZPE= 595.2 kJ/mol ZPE= 0.0425132
CONNECTIONS:
o EQ44 o EQ134
[ TS484 ] Animation C1 ENERGY= 671.1 kJ/mol
Energy+ZPE= 656.4 kJ/mol ZPE= 0.0439585
CONNECTIONS:
o EQ44 o EQ151
[ TS485 ] Animation C1 ENERGY= 635.9 kJ/mol
Energy+ZPE= 624.0 kJ/mol ZPE= 0.0450252
CONNECTIONS:
o EQ44 o EQ162
[ TS486 ] Animation C1 ENERGY= 764.6 kJ/mol
Energy+ZPE= 750.3 kJ/mol ZPE= 0.0440989
CONNECTIONS:
o EQ44 o EQ183
[ TS487 ] Animation C1 ENERGY= 823.8 kJ/mol
Energy+ZPE= 804.3 kJ/mol ZPE= 0.0421215
CONNECTIONS:
o EQ44 o EQ301
[ TS488 ] Animation C1 ENERGY= 1090.6 kJ/mol
Energy+ZPE= 1068.7 kJ/mol ZPE= 0.0411883
CONNECTIONS:
o EQ44 o EQ301
[ TS489 ] Animation C1 ENERGY= 1009.3 kJ/mol
Energy+ZPE= 989.2 kJ/mol ZPE= 0.0419020
CONNECTIONS:
o EQ44 o EQ318
[ TS490 ] Animation C1 ENERGY= 1054.7 kJ/mol
Energy+ZPE= 1035.3 kJ/mol ZPE= 0.0421593
CONNECTIONS:
o EQ44 o EQ447
[ TS491 ] Animation C1 ENERGY= 1046.0 kJ/mol
Energy+ZPE= 1027.4 kJ/mol ZPE= 0.0424772
CONNECTIONS:
o EQ44 o EQ459
[ TS492 ] Animation C1 ENERGY= 548.2 kJ/mol
Energy+ZPE= 535.1 kJ/mol ZPE= 0.0445464
CONNECTIONS:
o EQ44 o DDC126
[ TS493 ] Animation C1 ENERGY= 571.5 kJ/mol
Energy+ZPE= 557.2 kJ/mol ZPE= 0.0441039
CONNECTIONS:
o EQ44 o DDC127
[ TS494 ] Animation C1 ENERGY= 702.3 kJ/mol
Energy+ZPE= 683.5 kJ/mol ZPE= 0.0423738
CONNECTIONS:
o EQ44 o DDC128
[ TS495 ] Animation C1 ENERGY= 813.5 kJ/mol
Energy+ZPE= 794.3 kJ/mol ZPE= 0.0422391
CONNECTIONS:
o EQ44 o DDC129
[ TS496 ] Animation C1 ENERGY= 833.1 kJ/mol
Energy+ZPE= 814.0 kJ/mol ZPE= 0.0422699
CONNECTIONS:
o EQ44 o DDC130
[ TS497 ] Animation C1 ENERGY= 945.3 kJ/mol
Energy+ZPE= 918.6 kJ/mol ZPE= 0.0393624
CONNECTIONS:
o EQ44 o DDC131
[ TS498 ] Animation Cs ENERGY= 595.6 kJ/mol
Energy+ZPE= 580.3 kJ/mol ZPE= 0.0437241
CONNECTIONS:
o EQ45 o EQ45
[ TS499 ] Animation C1 ENERGY= 616.5 kJ/mol
Energy+ZPE= 593.2 kJ/mol ZPE= 0.0406801
CONNECTIONS:
o EQ45 o EQ45
[ TS500 ] Animation C1 ENERGY= 371.7 kJ/mol
Energy+ZPE= 360.5 kJ/mol ZPE= 0.0452746
CONNECTIONS:
o EQ45 o EQ48
[ TS501 ] Animation C1 ENERGY= 371.9 kJ/mol
Energy+ZPE= 360.1 kJ/mol ZPE= 0.0450563
CONNECTIONS:
o EQ45 o EQ48
[ TS502 ] Animation C1 ENERGY= 596.8 kJ/mol
Energy+ZPE= 582.3 kJ/mol ZPE= 0.0440256
CONNECTIONS:
o EQ45 o EQ50
[ TS503 ] Animation C1 ENERGY= 597.7 kJ/mol
Energy+ZPE= 581.5 kJ/mol ZPE= 0.0433944
CONNECTIONS:
o EQ45 o EQ50
[ TS504 ] Animation C1 ENERGY= 1062.9 kJ/mol
Energy+ZPE= 1039.0 kJ/mol ZPE= 0.0404500
CONNECTIONS:
o EQ45 o EQ62
[ TS505 ] Animation C1 ENERGY= 584.2 kJ/mol
Energy+ZPE= 568.4 kJ/mol ZPE= 0.0435356
CONNECTIONS:
o EQ45 o EQ93
[ TS506 ] Animation C1 ENERGY= 588.1 kJ/mol
Energy+ZPE= 572.4 kJ/mol ZPE= 0.0435633
CONNECTIONS:
o EQ45 o EQ95
[ TS507 ] Animation Cs ENERGY= 708.8 kJ/mol
Energy+ZPE= 683.0 kJ/mol ZPE= 0.0397078
CONNECTIONS:
o EQ45 o EQ99
[ TS508 ] Animation C1 ENERGY= 822.5 kJ/mol
Energy+ZPE= 792.4 kJ/mol ZPE= 0.0380923
CONNECTIONS:
o EQ45 o EQ99
[ TS509 ] Animation C1 ENERGY= 644.0 kJ/mol
Energy+ZPE= 627.7 kJ/mol ZPE= 0.0433482
CONNECTIONS:
o EQ45 o EQ168
[ TS510 ] Animation C1 ENERGY= 667.3 kJ/mol
Energy+ZPE= 649.4 kJ/mol ZPE= 0.0427341
CONNECTIONS:
o EQ45 o EQ179
[ TS511 ] Animation C1 ENERGY= 1041.1 kJ/mol
Energy+ZPE= 1019.9 kJ/mol ZPE= 0.0414757
CONNECTIONS:
o EQ45 o EQ447
[ TS512 ] Animation C1 ENERGY= 1068.7 kJ/mol
Energy+ZPE= 1050.3 kJ/mol ZPE= 0.0425335
CONNECTIONS:
o EQ45 o EQ451
[ TS513 ] Animation C1 ENERGY= 1070.5 kJ/mol
Energy+ZPE= 1051.3 kJ/mol ZPE= 0.0422413
CONNECTIONS:
o EQ45 o EQ454
[ TS514 ] Animation C1 ENERGY= 1108.7 kJ/mol
Energy+ZPE= 1084.1 kJ/mol ZPE= 0.0401872
CONNECTIONS:
o EQ45 o EQ486
[ TS515 ] Animation C1 ENERGY= 628.1 kJ/mol
Energy+ZPE= 600.3 kJ/mol ZPE= 0.0389408
CONNECTIONS:
o EQ45 o DDC132
[ TS516 ] Animation C1 ENERGY= 631.1 kJ/mol
Energy+ZPE= 607.9 kJ/mol ZPE= 0.0407007
CONNECTIONS:
o EQ45 o DDC133
[ TS517 ] Animation C1 ENERGY= 646.4 kJ/mol
Energy+ZPE= 616.2 kJ/mol ZPE= 0.0380488
CONNECTIONS:
o EQ45 o DDC134
[ TS518 ] Animation C1 ENERGY= 659.3 kJ/mol
Energy+ZPE= 633.3 kJ/mol ZPE= 0.0396519
CONNECTIONS:
o EQ45 o DDC135
[ TS519 ] Animation Cs ENERGY= 561.5 kJ/mol
Energy+ZPE= 550.5 kJ/mol ZPE= 0.0453702
CONNECTIONS:
o EQ46 o EQ46
[ TS520 ] Animation C1 ENERGY= 389.0 kJ/mol
Energy+ZPE= 382.1 kJ/mol ZPE= 0.0469031
CONNECTIONS:
o EQ46 o EQ53
[ TS521 ] Animation C1 ENERGY= 416.0 kJ/mol
Energy+ZPE= 407.4 kJ/mol ZPE= 0.0462808
CONNECTIONS:
o EQ46 o EQ54
[ TS522 ] Animation C1 ENERGY= 571.6 kJ/mol
Energy+ZPE= 559.4 kJ/mol ZPE= 0.0448856
CONNECTIONS:
o EQ46 o EQ84
[ TS523 ] Animation C1 ENERGY= 537.3 kJ/mol
Energy+ZPE= 525.2 kJ/mol ZPE= 0.0449448
CONNECTIONS:
o EQ46 o EQ87
[ TS524 ] Animation C1 ENERGY= 548.1 kJ/mol
Energy+ZPE= 535.4 kJ/mol ZPE= 0.0446968
CONNECTIONS:
o EQ46 o EQ94
[ TS525 ] Animation Cs ENERGY= 570.5 kJ/mol
Energy+ZPE= 546.8 kJ/mol ZPE= 0.0405336
CONNECTIONS:
o EQ46 o EQ110
[ TS526 ] Animation C1 ENERGY= 729.5 kJ/mol
Energy+ZPE= 706.2 kJ/mol ZPE= 0.0406711
CONNECTIONS:
o EQ46 o EQ140
[ TS527 ] Animation C1 ENERGY= 1063.0 kJ/mol
Energy+ZPE= 1041.4 kJ/mol ZPE= 0.0413269
CONNECTIONS:
o EQ46 o EQ477
[ TS528 ] Animation C1 ENERGY= 1105.3 kJ/mol
Energy+ZPE= 1085.6 kJ/mol ZPE= 0.0420537
CONNECTIONS:
o EQ46 o EQ477
[ TS529 ] Animation C1 ENERGY= 1123.3 kJ/mol
Energy+ZPE= 1101.4 kJ/mol ZPE= 0.0412184
CONNECTIONS:
o EQ46 o EQ490
[ TS530 ] Animation C1 ENERGY= 558.1 kJ/mol
Energy+ZPE= 538.3 kJ/mol ZPE= 0.0420168
CONNECTIONS:
o EQ46 o DDC136
[ TS531 ] Animation Cs ENERGY= 812.1 kJ/mol
Energy+ZPE= 781.0 kJ/mol ZPE= 0.0377099
CONNECTIONS:
o EQ46 o DDC137
[ TS532 ] Animation C1 ENERGY= 421.1 kJ/mol
Energy+ZPE= 411.1 kJ/mol ZPE= 0.0457312
CONNECTIONS:
o EQ47 o EQ49
[ TS533 ] Animation C1 ENERGY= 377.9 kJ/mol
Energy+ZPE= 372.1 kJ/mol ZPE= 0.0473347
CONNECTIONS:
o EQ47 o EQ51
[ TS534 ] Animation Cs ENERGY= 525.5 kJ/mol
Energy+ZPE= 507.7 kJ/mol ZPE= 0.0427653
CONNECTIONS:
o EQ47 o EQ51
[ TS535 ] Animation C1 ENERGY= 860.6 kJ/mol
Energy+ZPE= 842.1 kJ/mol ZPE= 0.0425197
CONNECTIONS:
o EQ47 o EQ60
[ TS536 ] Animation C1 ENERGY= 554.1 kJ/mol
Energy+ZPE= 542.4 kJ/mol ZPE= 0.0450920
CONNECTIONS:
o EQ47 o EQ67
[ TS537 ] Animation C1 ENERGY= 559.4 kJ/mol
Energy+ZPE= 547.3 kJ/mol ZPE= 0.0449516
CONNECTIONS:
o EQ47 o EQ75
[ TS538 ] Animation C1 ENERGY= 720.8 kJ/mol
Energy+ZPE= 697.8 kJ/mol ZPE= 0.0407879
CONNECTIONS:
o EQ47 o EQ206
[ TS539 ] Animation C1 ENERGY= 722.2 kJ/mol
Energy+ZPE= 699.2 kJ/mol ZPE= 0.0407963
CONNECTIONS:
o EQ47 o EQ215
[ TS540 ] Animation C1 ENERGY= 714.2 kJ/mol
Energy+ZPE= 698.4 kJ/mol ZPE= 0.0435437
CONNECTIONS:
o EQ47 o EQ258
[ TS541 ] Animation C1 ENERGY= 958.9 kJ/mol
Energy+ZPE= 944.5 kJ/mol ZPE= 0.0440554
CONNECTIONS:
o EQ47 o EQ389
[ TS542 ] Animation C1 ENERGY= 1057.6 kJ/mol
Energy+ZPE= 1038.2 kJ/mol ZPE= 0.0421456
CONNECTIONS:
o EQ47 o EQ468
[ TS543 ] Animation C1 ENERGY= 1091.9 kJ/mol
Energy+ZPE= 1074.6 kJ/mol ZPE= 0.0429521
CONNECTIONS:
o EQ47 o EQ468
[ TS544 ] Animation C1 ENERGY= 1083.1 kJ/mol
Energy+ZPE= 1061.1 kJ/mol ZPE= 0.0411602
CONNECTIONS:
o EQ47 o EQ502
[ TS545 ] Animation C1 ENERGY= 629.8 kJ/mol
Energy+ZPE= 613.6 kJ/mol ZPE= 0.0433674
CONNECTIONS:
o EQ47 o DDC138
[ TS546 ] Animation C1 ENERGY= 643.6 kJ/mol
Energy+ZPE= 626.5 kJ/mol ZPE= 0.0430473
CONNECTIONS:
o EQ47 o DDC139
[ TS547 ] Animation C1 ENERGY= 631.9 kJ/mol
Energy+ZPE= 609.1 kJ/mol ZPE= 0.0408748
CONNECTIONS:
o EQ48 o EQ48
[ TS548 ] Animation C1 ENERGY= 374.0 kJ/mol
Energy+ZPE= 362.3 kJ/mol ZPE= 0.0450778
CONNECTIONS:
o EQ48 o EQ50
[ TS549 ] Animation C1 ENERGY= 726.4 kJ/mol
Energy+ZPE= 700.6 kJ/mol ZPE= 0.0397233
CONNECTIONS:
o EQ48 o EQ134
[ TS550 ] Animation C1 ENERGY= 670.1 kJ/mol
Energy+ZPE= 652.7 kJ/mol ZPE= 0.0429269
CONNECTIONS:
o EQ48 o EQ153
[ TS551 ] Animation C1 ENERGY= 640.8 kJ/mol
Energy+ZPE= 626.5 kJ/mol ZPE= 0.0440846
CONNECTIONS:
o EQ48 o EQ168
[ TS552 ] Animation C1 ENERGY= 747.1 kJ/mol
Energy+ZPE= 732.9 kJ/mol ZPE= 0.0441253
CONNECTIONS:
o EQ48 o EQ231
[ TS553 ] Animation C1 ENERGY= 700.3 kJ/mol
Energy+ZPE= 688.1 kJ/mol ZPE= 0.0449014
CONNECTIONS:
o EQ48 o EQ237
[ TS554 ] Animation C1 ENERGY= 810.6 kJ/mol
Energy+ZPE= 791.1 kJ/mol ZPE= 0.0421090
CONNECTIONS:
o EQ48 o EQ301
[ TS555 ] Animation C1 ENERGY= 1073.6 kJ/mol
Energy+ZPE= 1054.8 kJ/mol ZPE= 0.0424011
CONNECTIONS:
o EQ48 o EQ451
[ TS556 ] Animation C1 ENERGY= 1055.7 kJ/mol
Energy+ZPE= 1033.7 kJ/mol ZPE= 0.0411797
CONNECTIONS:
o EQ48 o EQ459
[ TS557 ] Animation C1 ENERGY= 1108.8 kJ/mol
Energy+ZPE= 1084.1 kJ/mol ZPE= 0.0401544
CONNECTIONS:
o EQ48 o EQ486
[ TS558 ] Animation C1 ENERGY= 535.0 kJ/mol
Energy+ZPE= 511.9 kJ/mol ZPE= 0.0407520
CONNECTIONS:
o EQ48 o DDC140
[ TS559 ] Animation C1 ENERGY= 552.7 kJ/mol
Energy+ZPE= 532.0 kJ/mol ZPE= 0.0416819
CONNECTIONS:
o EQ48 o DDC141
[ TS560 ] Animation C1 ENERGY= 558.9 kJ/mol
Energy+ZPE= 541.9 kJ/mol ZPE= 0.0430622
CONNECTIONS:
o EQ48 o DDC142
[ TS561 ] Animation C1 ENERGY= 598.2 kJ/mol
Energy+ZPE= 580.0 kJ/mol ZPE= 0.0426133
CONNECTIONS:
o EQ48 o DDC143
[ TS562 ] Animation C1 ENERGY= 630.3 kJ/mol
Energy+ZPE= 606.4 kJ/mol ZPE= 0.0404472
CONNECTIONS:
o EQ48 o DDC144
[ TS563 ] Animation C1 ENERGY= 634.9 kJ/mol
Energy+ZPE= 607.3 kJ/mol ZPE= 0.0390369
CONNECTIONS:
o EQ48 o DDC145
[ TS564 ] Animation C1 ENERGY= 639.0 kJ/mol
Energy+ZPE= 607.5 kJ/mol ZPE= 0.0375461
CONNECTIONS:
o EQ48 o DDC146
[ TS565 ] Animation Cs ENERGY= 372.2 kJ/mol
Energy+ZPE= 366.3 kJ/mol ZPE= 0.0472908
CONNECTIONS:
o EQ49 o EQ49
[ TS566 ] Animation C1 ENERGY= 405.7 kJ/mol
Energy+ZPE= 398.8 kJ/mol ZPE= 0.0469270
CONNECTIONS:
o EQ49 o EQ49
[ TS567 ] Animation C1 ENERGY= 428.6 kJ/mol
Energy+ZPE= 417.8 kJ/mol ZPE= 0.0454419
CONNECTIONS:
o EQ49 o EQ51
[ TS568 ] Animation C1 ENERGY= 537.5 kJ/mol
Energy+ZPE= 526.4 kJ/mol ZPE= 0.0453352
CONNECTIONS:
o EQ49 o EQ60
[ TS569 ] Animation C1 ENERGY= 574.3 kJ/mol
Energy+ZPE= 560.2 kJ/mol ZPE= 0.0441610
CONNECTIONS:
o EQ49 o EQ60
[ TS570 ] Animation C1 ENERGY= 563.3 kJ/mol
Energy+ZPE= 551.1 kJ/mol ZPE= 0.0449086
CONNECTIONS:
o EQ49 o EQ70
[ TS571 ] Animation C1 ENERGY= 585.6 kJ/mol
Energy+ZPE= 572.2 kJ/mol ZPE= 0.0444560
CONNECTIONS:
o EQ49 o EQ88
[ TS572 ] Animation C1 ENERGY= 598.3 kJ/mol
Energy+ZPE= 586.1 kJ/mol ZPE= 0.0448922
CONNECTIONS:
o EQ49 o EQ90
[ TS573 ] Animation Cs ENERGY= 683.2 kJ/mol
Energy+ZPE= 662.3 kJ/mol ZPE= 0.0415870
CONNECTIONS:
o EQ49 o EQ123
[ TS574 ] Animation C1 ENERGY= 730.3 kJ/mol
Energy+ZPE= 716.4 kJ/mol ZPE= 0.0442489
CONNECTIONS:
o EQ49 o EQ127
[ TS575 ] Animation C1 ENERGY= 831.7 kJ/mol
Energy+ZPE= 809.5 kJ/mol ZPE= 0.0410814
CONNECTIONS:
o EQ49 o EQ140
[ TS576 ] Animation C1 ENERGY= 614.8 kJ/mol
Energy+ZPE= 598.5 kJ/mol ZPE= 0.0433401
CONNECTIONS:
o EQ49 o EQ159
[ TS577 ] Animation C1 ENERGY= 866.2 kJ/mol
Energy+ZPE= 847.2 kJ/mol ZPE= 0.0422938
CONNECTIONS:
o EQ49 o EQ179
[ TS578 ] Animation C1 ENERGY= 697.3 kJ/mol
Energy+ZPE= 682.1 kJ/mol ZPE= 0.0437585
CONNECTIONS:
o EQ49 o EQ208
[ TS579 ] Animation C1 ENERGY= 701.8 kJ/mol
Energy+ZPE= 690.3 kJ/mol ZPE= 0.0451513
CONNECTIONS:
o EQ49 o EQ230
[ TS580 ] Animation C1 ENERGY= 743.9 kJ/mol
Energy+ZPE= 721.1 kJ/mol ZPE= 0.0408631
CONNECTIONS:
o EQ49 o EQ257
[ TS581 ] Animation C1 ENERGY= 724.6 kJ/mol
Energy+ZPE= 707.9 kJ/mol ZPE= 0.0432003
CONNECTIONS:
o EQ49 o EQ268
[ TS582 ] Animation Cs ENERGY= 1082.3 kJ/mol
Energy+ZPE= 1055.4 kJ/mol ZPE= 0.0392915
CONNECTIONS:
o EQ49 o EQ329
[ TS583 ] Animation C1 ENERGY= 868.5 kJ/mol
Energy+ZPE= 846.1 kJ/mol ZPE= 0.0410146
CONNECTIONS:
o EQ49 o EQ343
[ TS584 ] Animation C1 ENERGY= 916.5 kJ/mol
Energy+ZPE= 893.7 kJ/mol ZPE= 0.0408820
CONNECTIONS:
o EQ49 o EQ375
[ TS585 ] Animation C1 ENERGY= 959.0 kJ/mol
Energy+ZPE= 943.8 kJ/mol ZPE= 0.0437624
CONNECTIONS:
o EQ49 o EQ388
[ TS586 ] Animation C1 ENERGY= 1068.7 kJ/mol
Energy+ZPE= 1050.7 kJ/mol ZPE= 0.0427015
CONNECTIONS:
o EQ49 o EQ458
[ TS587 ] Animation C1 ENERGY= 1084.1 kJ/mol
Energy+ZPE= 1062.5 kJ/mol ZPE= 0.0413133
CONNECTIONS:
o EQ49 o EQ499
[ TS588 ] Animation C1 ENERGY= 1087.9 kJ/mol
Energy+ZPE= 1066.7 kJ/mol ZPE= 0.0414726
CONNECTIONS:
o EQ49 o EQ499
[ TS589 ] Animation C1 ENERGY= 522.2 kJ/mol
Energy+ZPE= 508.4 kJ/mol ZPE= 0.0443081
CONNECTIONS:
o EQ49 o DDC147
[ TS590 ] Animation C1 ENERGY= 524.1 kJ/mol
Energy+ZPE= 509.0 kJ/mol ZPE= 0.0437907
CONNECTIONS:
o EQ49 o DDC148
[ TS591 ] Animation C1 ENERGY= 629.9 kJ/mol
Energy+ZPE= 608.4 kJ/mol ZPE= 0.0413695
CONNECTIONS:
o EQ49 o DDC149
[ TS592 ] Animation C1 ENERGY= 693.5 kJ/mol
Energy+ZPE= 666.9 kJ/mol ZPE= 0.0394302
CONNECTIONS:
o EQ49 o DDC150
[ TS593 ] Animation C1 ENERGY= 733.6 kJ/mol
Energy+ZPE= 710.2 kJ/mol ZPE= 0.0406413
CONNECTIONS:
o EQ49 o DDC151
[ TS594 ] Animation C1 ENERGY= 742.0 kJ/mol
Energy+ZPE= 721.4 kJ/mol ZPE= 0.0417130
CONNECTIONS:
o EQ49 o DDC152
[ TS595 ] Animation C1 ENERGY= 983.8 kJ/mol
Energy+ZPE= 958.5 kJ/mol ZPE= 0.0399155
CONNECTIONS:
o EQ49 o DDC153
[ TS596 ] Animation C1 ENERGY= 1013.6 kJ/mol
Energy+ZPE= 990.1 kJ/mol ZPE= 0.0405844
CONNECTIONS:
o EQ49 o DDC154
[ TS597 ] Animation Cs ENERGY= 375.1 kJ/mol
Energy+ZPE= 363.5 kJ/mol ZPE= 0.0451378
CONNECTIONS:
o EQ50 o EQ50
[ TS598 ] Animation Cs ENERGY= 618.4 kJ/mol
Energy+ZPE= 603.1 kJ/mol ZPE= 0.0437337
CONNECTIONS:
o EQ50 o EQ50
[ TS599 ] Animation Cs ENERGY= 563.1 kJ/mol
Energy+ZPE= 542.2 kJ/mol ZPE= 0.0415953
CONNECTIONS:
o EQ50 o EQ60
[ TS600 ] Animation Cs ENERGY= 722.0 kJ/mol
Energy+ZPE= 696.0 kJ/mol ZPE= 0.0396284
CONNECTIONS:
o EQ50 o EQ113
[ TS601 ] Animation C1 ENERGY= 637.9 kJ/mol
Energy+ZPE= 622.4 kJ/mol ZPE= 0.0436312
CONNECTIONS:
o EQ50 o EQ150
[ TS602 ] Animation C1 ENERGY= 1195.1 kJ/mol
Energy+ZPE= 1165.9 kJ/mol ZPE= 0.0384359
CONNECTIONS:
o EQ50 o EQ179
[ TS603 ] Animation C1 ENERGY= 668.4 kJ/mol
Energy+ZPE= 650.3 kJ/mol ZPE= 0.0426700
CONNECTIONS:
o EQ50 o EQ182
[ TS604 ] Animation C1 ENERGY= 770.5 kJ/mol
Energy+ZPE= 754.0 kJ/mol ZPE= 0.0432570
CONNECTIONS:
o EQ50 o EQ271
[ TS605 ] Animation C1 ENERGY= 1243.0 kJ/mol
Energy+ZPE= 1221.9 kJ/mol ZPE= 0.0415201
CONNECTIONS:
o EQ50 o EQ512
[ TS606 ] Animation C1 ENERGY= 592.4 kJ/mol
Energy+ZPE= 577.0 kJ/mol ZPE= 0.0436895
CONNECTIONS:
o EQ50 o DDC155
[ TS607 ] Animation C1 ENERGY= 597.2 kJ/mol
Energy+ZPE= 574.0 kJ/mol ZPE= 0.0407087
CONNECTIONS:
o EQ50 o DDC156
[ TS608 ] Animation Cs ENERGY= 601.3 kJ/mol
Energy+ZPE= 574.3 kJ/mol ZPE= 0.0392761
CONNECTIONS:
o EQ50 o DDC157
[ TS609 ] Animation C1 ENERGY= 624.5 kJ/mol
Energy+ZPE= 607.3 kJ/mol ZPE= 0.0430037
CONNECTIONS:
o EQ50 o DDC158
[ TS610 ] Animation C1 ENERGY= 861.3 kJ/mol
Energy+ZPE= 830.7 kJ/mol ZPE= 0.0378966
CONNECTIONS:
o EQ50 o DDC159
[ TS611 ] Animation C1 ENERGY= 556.5 kJ/mol
Energy+ZPE= 544.7 kJ/mol ZPE= 0.0450389
CONNECTIONS:
o EQ51 o EQ68
[ TS612 ] Animation C1 ENERGY= 563.2 kJ/mol
Energy+ZPE= 551.0 kJ/mol ZPE= 0.0448864
CONNECTIONS:
o EQ51 o EQ75
[ TS613 ] Animation C1 ENERGY= 600.1 kJ/mol
Energy+ZPE= 587.0 kJ/mol ZPE= 0.0445675
CONNECTIONS:
o EQ51 o EQ99
[ TS614 ] Animation C1 ENERGY= 726.4 kJ/mol
Energy+ZPE= 711.3 kJ/mol ZPE= 0.0438033
CONNECTIONS:
o EQ51 o EQ124
[ TS615 ] Animation C1 ENERGY= 1056.5 kJ/mol
Energy+ZPE= 1036.0 kJ/mol ZPE= 0.0417472
CONNECTIONS:
o EQ51 o EQ464
[ TS616 ] Animation C1 ENERGY= 1100.6 kJ/mol
Energy+ZPE= 1082.3 kJ/mol ZPE= 0.0425663
CONNECTIONS:
o EQ51 o EQ464
[ TS617 ] Animation C1 ENERGY= 1054.3 kJ/mol
Energy+ZPE= 1034.8 kJ/mol ZPE= 0.0421051
CONNECTIONS:
o EQ51 o EQ466
[ TS618 ] Animation C1 ENERGY= 1098.4 kJ/mol
Energy+ZPE= 1080.7 kJ/mol ZPE= 0.0428166
CONNECTIONS:
o EQ51 o EQ466
[ TS619 ] Animation C1 ENERGY= 1058.1 kJ/mol
Energy+ZPE= 1039.4 kJ/mol ZPE= 0.0424103
CONNECTIONS:
o EQ51 o EQ474
[ TS620 ] Animation C1 ENERGY= 1077.4 kJ/mol
Energy+ZPE= 1056.3 kJ/mol ZPE= 0.0414926
CONNECTIONS:
o EQ51 o EQ485
[ TS621 ] Animation C1 ENERGY= 532.7 kJ/mol
Energy+ZPE= 516.1 kJ/mol ZPE= 0.0432371
CONNECTIONS:
o EQ51 o DDC160
[ TS622 ] Animation C1 ENERGY= 743.8 kJ/mol
Energy+ZPE= 723.9 kJ/mol ZPE= 0.0419834
CONNECTIONS:
o EQ51 o DDC161
[ TS623 ] Animation C1 ENERGY= 765.9 kJ/mol
Energy+ZPE= 743.7 kJ/mol ZPE= 0.0411097
CONNECTIONS:
o EQ51 o DDC162
[ TS624 ] Animation C1 ENERGY= 402.6 kJ/mol
Energy+ZPE= 394.4 kJ/mol ZPE= 0.0464093
CONNECTIONS:
o EQ52 o EQ53
[ TS625 ] Animation C1 ENERGY= 393.2 kJ/mol
Energy+ZPE= 385.8 kJ/mol ZPE= 0.0467245
CONNECTIONS:
o EQ52 o EQ54
[ TS626 ] Animation C1 ENERGY= 551.4 kJ/mol
Energy+ZPE= 537.4 kJ/mol ZPE= 0.0442296
CONNECTIONS:
o EQ52 o EQ74
[ TS627 ] Animation C1 ENERGY= 538.9 kJ/mol
Energy+ZPE= 526.4 kJ/mol ZPE= 0.0448031
CONNECTIONS:
o EQ52 o EQ92
[ TS628 ] Animation Cs ENERGY= 724.6 kJ/mol
Energy+ZPE= 701.2 kJ/mol ZPE= 0.0406270
CONNECTIONS:
o EQ52 o EQ137
[ TS629 ] Animation C1 ENERGY= 989.1 kJ/mol
Energy+ZPE= 963.6 kJ/mol ZPE= 0.0398254
CONNECTIONS:
o EQ52 o EQ413
[ TS630 ] Animation C1 ENERGY= 1068.1 kJ/mol
Energy+ZPE= 1047.7 kJ/mol ZPE= 0.0417675
CONNECTIONS:
o EQ52 o EQ477
[ TS631 ] Animation C1 ENERGY= 1069.3 kJ/mol
Energy+ZPE= 1049.3 kJ/mol ZPE= 0.0419336
CONNECTIONS:
o EQ52 o EQ484
[ TS632 ] Animation C1 ENERGY= 517.2 kJ/mol
Energy+ZPE= 499.1 kJ/mol ZPE= 0.0426379
CONNECTIONS:
o EQ52 o DDC163
[ TS633 ] Animation C1 ENERGY= 545.1 kJ/mol
Energy+ZPE= 521.8 kJ/mol ZPE= 0.0406781
CONNECTIONS:
o EQ52 o DDC164
[ TS634 ] Animation C1 ENERGY= 593.9 kJ/mol
Energy+ZPE= 573.4 kJ/mol ZPE= 0.0417423
CONNECTIONS:
o EQ52 o DDC165
[ TS635 ] Animation C1 ENERGY= 686.6 kJ/mol
Energy+ZPE= 660.4 kJ/mol ZPE= 0.0395660
CONNECTIONS:
o EQ52 o DDC166
[ TS636 ] Animation C1 ENERGY= 759.7 kJ/mol
Energy+ZPE= 736.2 kJ/mol ZPE= 0.0406084
CONNECTIONS:
o EQ52 o DDC167
[ TS637 ] Animation C1 ENERGY= 550.9 kJ/mol
Energy+ZPE= 538.0 kJ/mol ZPE= 0.0446321
CONNECTIONS:
o EQ54 o EQ96
[ TS638 ] Animation C1 ENERGY= 591.5 kJ/mol
Energy+ZPE= 578.1 kJ/mol ZPE= 0.0444387
CONNECTIONS:
o EQ54 o EQ97
[ TS639 ] Animation Cs ENERGY= 720.2 kJ/mol
Energy+ZPE= 697.1 kJ/mol ZPE= 0.0407348
CONNECTIONS:
o EQ54 o EQ127
[ TS640 ] Animation C1 ENERGY= 990.4 kJ/mol
Energy+ZPE= 965.4 kJ/mol ZPE= 0.0400273
CONNECTIONS:
o EQ54 o EQ412
[ TS641 ] Animation Cs ENERGY= 422.9 kJ/mol
Energy+ZPE= 409.1 kJ/mol ZPE= 0.0442957
CONNECTIONS:
o EQ55 o EQ55
[ TS642 ] Animation C1 ENERGY= 753.9 kJ/mol
Energy+ZPE= 734.1 kJ/mol ZPE= 0.0420160
CONNECTIONS:
o EQ55 o EQ55
[ TS643 ] Animation C1 ENERGY= 886.2 kJ/mol
Energy+ZPE= 865.4 kJ/mol ZPE= 0.0416155
CONNECTIONS:
o EQ55 o EQ70
[ TS644 ] Animation C1 ENERGY= 558.7 kJ/mol
Energy+ZPE= 545.4 kJ/mol ZPE= 0.0444656
CONNECTIONS:
o EQ55 o EQ79
[ TS645 ] Animation C1 ENERGY= 563.3 kJ/mol
Energy+ZPE= 550.1 kJ/mol ZPE= 0.0445020
CONNECTIONS:
o EQ55 o EQ79
[ TS646 ] Animation C1 ENERGY= 833.0 kJ/mol
Energy+ZPE= 812.2 kJ/mol ZPE= 0.0416332
CONNECTIONS:
o EQ55 o EQ244
[ TS647 ] Animation C1 ENERGY= 765.7 kJ/mol
Energy+ZPE= 748.6 kJ/mol ZPE= 0.0430501
CONNECTIONS:
o EQ55 o EQ288
[ TS648 ] Animation C1 ENERGY= 743.1 kJ/mol
Energy+ZPE= 716.6 kJ/mol ZPE= 0.0394645
CONNECTIONS:
o EQ55 o EQ290
[ TS649 ] Animation C1 ENERGY= 432.0 kJ/mol
Energy+ZPE= 417.4 kJ/mol ZPE= 0.0439725
CONNECTIONS:
o EQ55 o DDC168
[ TS650 ] Animation C1 ENERGY= 443.5 kJ/mol
Energy+ZPE= 425.2 kJ/mol ZPE= 0.0425718
CONNECTIONS:
o EQ55 o DDC169
[ TS651 ] Animation C1 ENERGY= 453.2 kJ/mol
Energy+ZPE= 434.3 kJ/mol ZPE= 0.0423598
CONNECTIONS:
o EQ55 o DDC170
[ TS652 ] Animation C1 ENERGY= 737.0 kJ/mol
Energy+ZPE= 719.2 kJ/mol ZPE= 0.0427798
CONNECTIONS:
o EQ55 o DDC171
[ TS653 ] Animation C1 ENERGY= 782.6 kJ/mol
Energy+ZPE= 753.0 kJ/mol ZPE= 0.0382597
CONNECTIONS:
o EQ55 o DDC172
[ TS654 ] Animation C1 ENERGY= 434.3 kJ/mol
Energy+ZPE= 422.4 kJ/mol ZPE= 0.0450008
CONNECTIONS:
o EQ56 o EQ57
[ TS655 ] Animation C1 ENERGY= 446.6 kJ/mol
Energy+ZPE= 433.9 kJ/mol ZPE= 0.0446921
CONNECTIONS:
o EQ56 o EQ58
[ TS656 ] Animation C1 ENERGY= 445.6 kJ/mol
Energy+ZPE= 433.1 kJ/mol ZPE= 0.0447820
CONNECTIONS:
o EQ56 o EQ65
[ TS657 ] Animation C1 ENERGY= 445.8 kJ/mol
Energy+ZPE= 433.6 kJ/mol ZPE= 0.0448984
CONNECTIONS:
o EQ56 o EQ65
[ TS658 ] Animation C1 ENERGY= 589.6 kJ/mol
Energy+ZPE= 576.7 kJ/mol ZPE= 0.0446515
CONNECTIONS:
o EQ56 o EQ82
[ TS659 ] Animation C1 ENERGY= 512.7 kJ/mol
Energy+ZPE= 503.2 kJ/mol ZPE= 0.0459110
CONNECTIONS:
o EQ56 o EQ90
[ TS660 ] Animation C1 ENERGY= 676.3 kJ/mol
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0438147
CONNECTIONS:
o EQ56 o EQ104
[ TS661 ] Animation C1 ENERGY= 670.8 kJ/mol
Energy+ZPE= 655.9 kJ/mol ZPE= 0.0438841
CONNECTIONS:
o EQ56 o EQ118
[ TS662 ] Animation Cs ENERGY= 783.8 kJ/mol
Energy+ZPE= 759.2 kJ/mol ZPE= 0.0401620
CONNECTIONS:
o EQ56 o EQ181
[ TS663 ] Animation C1 ENERGY= 1026.9 kJ/mol
Energy+ZPE= 1010.9 kJ/mol ZPE= 0.0434420
CONNECTIONS:
o EQ56 o EQ447
[ TS664 ] Animation C1 ENERGY= 1134.4 kJ/mol
Energy+ZPE= 1107.4 kJ/mol ZPE= 0.0392590
CONNECTIONS:
o EQ56 o EQ495
[ TS665 ] Animation C1 ENERGY= 570.0 kJ/mol
Energy+ZPE= 549.4 kJ/mol ZPE= 0.0417111
CONNECTIONS:
o EQ56 o DDC173
[ TS666 ] Animation C1 ENERGY= 581.2 kJ/mol
Energy+ZPE= 560.8 kJ/mol ZPE= 0.0417663
CONNECTIONS:
o EQ56 o DDC174
[ TS667 ] Animation C1 ENERGY= 655.0 kJ/mol
Energy+ZPE= 635.6 kJ/mol ZPE= 0.0421663
CONNECTIONS:
o EQ56 o DDC175
[ TS668 ] Animation Cs ENERGY= 671.0 kJ/mol
Energy+ZPE= 635.9 kJ/mol ZPE= 0.0361608
CONNECTIONS:
o EQ56 o DDC176
[ TS669 ] Animation C1 ENERGY= 687.4 kJ/mol
Energy+ZPE= 669.3 kJ/mol ZPE= 0.0426434
CONNECTIONS:
o EQ56 o DDC177
[ TS670 ] Animation C1 ENERGY= 838.0 kJ/mol
Energy+ZPE= 817.0 kJ/mol ZPE= 0.0415455
CONNECTIONS:
o EQ56 o DDC178
[ TS671 ] Animation C1 ENERGY= 425.6 kJ/mol
Energy+ZPE= 415.0 kJ/mol ZPE= 0.0455117
CONNECTIONS:
o EQ57 o EQ58
[ TS672 ] Animation C1 ENERGY= 530.2 kJ/mol
Energy+ZPE= 519.7 kJ/mol ZPE= 0.0455559
CONNECTIONS:
o EQ57 o EQ99
[ TS673 ] Animation C1 ENERGY= 889.1 kJ/mol
Energy+ZPE= 866.5 kJ/mol ZPE= 0.0409301
CONNECTIONS:
o EQ57 o EQ308
[ TS674 ] Animation C1 ENERGY= 1297.1 kJ/mol
Energy+ZPE= 1272.5 kJ/mol ZPE= 0.0401606
CONNECTIONS:
o EQ57 o EQ308
[ TS675 ] Animation Cs ENERGY= 1042.1 kJ/mol
Energy+ZPE= 1011.9 kJ/mol ZPE= 0.0380389
CONNECTIONS:
o EQ57 o EQ330
[ TS676 ] Animation C1 ENERGY= 1135.0 kJ/mol
Energy+ZPE= 1108.9 kJ/mol ZPE= 0.0396078
CONNECTIONS:
o EQ57 o EQ483
[ TS677 ] Animation C1 ENERGY= 708.9 kJ/mol
Energy+ZPE= 689.7 kJ/mol ZPE= 0.0422409
CONNECTIONS:
o EQ57 o DDC179
[ TS678 ] Animation C1 ENERGY= 903.1 kJ/mol
Energy+ZPE= 882.0 kJ/mol ZPE= 0.0414995
CONNECTIONS:
o EQ58 o EQ67
[ TS679 ] Animation C1 ENERGY= 908.4 kJ/mol
Energy+ZPE= 887.1 kJ/mol ZPE= 0.0414241
CONNECTIONS:
o EQ58 o EQ70
[ TS680 ] Animation C1 ENERGY= 556.6 kJ/mol
Energy+ZPE= 544.9 kJ/mol ZPE= 0.0450743
CONNECTIONS:
o EQ58 o EQ99
[ TS681 ] Animation C1 ENERGY= 789.5 kJ/mol
Energy+ZPE= 764.2 kJ/mol ZPE= 0.0399227
CONNECTIONS:
o EQ58 o EQ175
[ TS682 ] Animation C1 ENERGY= 838.6 kJ/mol
Energy+ZPE= 816.5 kJ/mol ZPE= 0.0411288
CONNECTIONS:
o EQ58 o EQ200
[ TS683 ] Animation C1 ENERGY= 1143.2 kJ/mol
Energy+ZPE= 1118.8 kJ/mol ZPE= 0.0402673
CONNECTIONS:
o EQ58 o EQ363
[ TS684 ] Animation C1 ENERGY= 1014.0 kJ/mol
Energy+ZPE= 985.5 kJ/mol ZPE= 0.0387005
CONNECTIONS:
o EQ58 o EQ391
[ TS685 ] Animation C1 ENERGY= 1141.8 kJ/mol
Energy+ZPE= 1114.1 kJ/mol ZPE= 0.0389804
CONNECTIONS:
o EQ58 o EQ483
[ TS686 ] Animation C1 ENERGY= 1337.7 kJ/mol
Energy+ZPE= 1307.4 kJ/mol ZPE= 0.0380255
CONNECTIONS:
o EQ58 o EQ568
[ TS687 ] Animation C1 ENERGY= 564.0 kJ/mol
Energy+ZPE= 543.7 kJ/mol ZPE= 0.0418211
CONNECTIONS:
o EQ58 o DDC180
[ TS688 ] Animation C1 ENERGY= 744.2 kJ/mol
Energy+ZPE= 714.2 kJ/mol ZPE= 0.0381082
CONNECTIONS:
o EQ58 o DDC181
[ TS689 ] Animation C1 ENERGY= 786.0 kJ/mol
Energy+ZPE= 760.3 kJ/mol ZPE= 0.0397693
CONNECTIONS:
o EQ58 o DDC182
[ TS690 ] Animation C1 ENERGY= 435.2 kJ/mol
Energy+ZPE= 412.2 kJ/mol ZPE= 0.0407915
CONNECTIONS:
o EQ59 o DDC183
[ TS691 ] Animation Cs ENERGY= 446.7 kJ/mol
Energy+ZPE= 418.4 kJ/mol ZPE= 0.0387500
CONNECTIONS:
o EQ59 o DDC184
[ TS692 ] Animation Cs ENERGY= 456.1 kJ/mol
Energy+ZPE= 427.8 kJ/mol ZPE= 0.0387820
CONNECTIONS:
o EQ59 o DDC185
[ TS693 ] Animation C1 ENERGY= 475.6 kJ/mol
Energy+ZPE= 465.1 kJ/mol ZPE= 0.0455463
CONNECTIONS:
o EQ60 o EQ62
[ TS694 ] Animation C1 ENERGY= 469.3 kJ/mol
Energy+ZPE= 458.9 kJ/mol ZPE= 0.0455804
CONNECTIONS:
o EQ60 o EQ64
[ TS695 ] Animation Cs ENERGY= 611.7 kJ/mol
Energy+ZPE= 598.6 kJ/mol ZPE= 0.0445655
CONNECTIONS:
o EQ60 o EQ70
[ TS696 ] Animation C1 ENERGY= 513.1 kJ/mol
Energy+ZPE= 500.8 kJ/mol ZPE= 0.0448553
CONNECTIONS:
o EQ60 o EQ75
[ TS697 ] Animation C1 ENERGY= 1010.9 kJ/mol
Energy+ZPE= 988.8 kJ/mol ZPE= 0.0411418
CONNECTIONS:
o EQ60 o EQ75
[ TS698 ] Animation C1 ENERGY= 512.2 kJ/mol
Energy+ZPE= 503.0 kJ/mol ZPE= 0.0460244
CONNECTIONS:
o EQ60 o EQ98
[ TS699 ] Animation C1 ENERGY= 572.2 kJ/mol
Energy+ZPE= 561.6 kJ/mol ZPE= 0.0455015
CONNECTIONS:
o EQ60 o EQ120
[ TS700 ] Animation C1 ENERGY= 762.1 kJ/mol
Energy+ZPE= 746.4 kJ/mol ZPE= 0.0435741
CONNECTIONS:
o EQ60 o EQ182
[ TS701 ] Animation C1 ENERGY= 874.9 kJ/mol
Energy+ZPE= 846.1 kJ/mol ZPE= 0.0385964
CONNECTIONS:
o EQ60 o EQ307
[ TS702 ] Animation C1 ENERGY= 809.7 kJ/mol
Energy+ZPE= 790.8 kJ/mol ZPE= 0.0423305
CONNECTIONS:
o EQ60 o EQ316
[ TS703 ] Animation C1 ENERGY= 813.9 kJ/mol
Energy+ZPE= 795.1 kJ/mol ZPE= 0.0423904
CONNECTIONS:
o EQ60 o EQ316
[ TS704 ] Animation C1 ENERGY= 973.1 kJ/mol
Energy+ZPE= 950.5 kJ/mol ZPE= 0.0409205
CONNECTIONS:
o EQ60 o EQ330
[ TS705 ] Animation C1 ENERGY= 936.1 kJ/mol
Energy+ZPE= 920.0 kJ/mol ZPE= 0.0434284
CONNECTIONS:
o EQ60 o EQ363
[ TS706 ] Animation C1 ENERGY= 882.7 kJ/mol
Energy+ZPE= 862.4 kJ/mol ZPE= 0.0418209
CONNECTIONS:
o EQ60 o EQ367
[ TS707 ] Animation C1 ENERGY= 1020.4 kJ/mol
Energy+ZPE= 1003.0 kJ/mol ZPE= 0.0429222
CONNECTIONS:
o EQ60 o EQ389
[ TS708 ] Animation C1 ENERGY= 1308.5 kJ/mol
Energy+ZPE= 1287.4 kJ/mol ZPE= 0.0415183
CONNECTIONS:
o EQ60 o EQ394
[ TS709 ] Animation Cs ENERGY= 490.8 kJ/mol
Energy+ZPE= 473.8 kJ/mol ZPE= 0.0430696
CONNECTIONS:
o EQ60 o DDC186
[ TS710 ] Animation C1 ENERGY= 603.0 kJ/mol
Energy+ZPE= 587.7 kJ/mol ZPE= 0.0437180
CONNECTIONS:
o EQ60 o DDC187
[ TS711 ] Animation C1 ENERGY= 858.8 kJ/mol
Energy+ZPE= 839.7 kJ/mol ZPE= 0.0422770
CONNECTIONS:
o EQ60 o DDC188
[ TS712 ] Animation C1 ENERGY= 909.8 kJ/mol
Energy+ZPE= 886.0 kJ/mol ZPE= 0.0404788
CONNECTIONS:
o EQ60 o DDC189
[ TS713 ] Animation Cs ENERGY= 490.4 kJ/mol
Energy+ZPE= 473.3 kJ/mol ZPE= 0.0430215
CONNECTIONS:
o EQ61 o EQ61
[ TS714 ] Animation C1 ENERGY= 442.4 kJ/mol
Energy+ZPE= 432.2 kJ/mol ZPE= 0.0456538
CONNECTIONS:
o EQ61 o EQ63
[ TS715 ] Animation C1 ENERGY= 471.5 kJ/mol
Energy+ZPE= 460.6 kJ/mol ZPE= 0.0453961
CONNECTIONS:
o EQ61 o EQ63
[ TS716 ] Animation C1 ENERGY= 472.9 kJ/mol
Energy+ZPE= 463.6 kJ/mol ZPE= 0.0459965
CONNECTIONS:
o EQ61 o EQ64
[ TS717 ] Animation C1 ENERGY= 484.4 kJ/mol
Energy+ZPE= 475.1 kJ/mol ZPE= 0.0459948
CONNECTIONS:
o EQ61 o EQ64
[ TS718 ] Animation C1 ENERGY= 705.4 kJ/mol
Energy+ZPE= 687.1 kJ/mol ZPE= 0.0425718
CONNECTIONS:
o EQ61 o EQ225
[ TS719 ] Animation C1 ENERGY= 710.4 kJ/mol
Energy+ZPE= 691.6 kJ/mol ZPE= 0.0424029
CONNECTIONS:
o EQ61 o EQ231
[ TS720 ] Animation C1 ENERGY= 1029.5 kJ/mol
Energy+ZPE= 1011.0 kJ/mol ZPE= 0.0425199
CONNECTIONS:
o EQ61 o EQ445
[ TS721 ] Animation C1 ENERGY= 544.6 kJ/mol
Energy+ZPE= 529.7 kJ/mol ZPE= 0.0438564
CONNECTIONS:
o EQ61 o DDC190
[ TS722 ] Animation C1 ENERGY= 554.5 kJ/mol
Energy+ZPE= 539.6 kJ/mol ZPE= 0.0438611
CONNECTIONS:
o EQ61 o DDC191
[ TS723 ] Animation Cs ENERGY= 496.7 kJ/mol
Energy+ZPE= 482.5 kJ/mol ZPE= 0.0441299
CONNECTIONS:
o EQ62 o EQ62
[ TS724 ] Animation C1 ENERGY= 470.5 kJ/mol
Energy+ZPE= 461.4 kJ/mol ZPE= 0.0460792
CONNECTIONS:
o EQ62 o EQ63
[ TS725 ] Animation C1 ENERGY= 487.1 kJ/mol
Energy+ZPE= 477.5 kJ/mol ZPE= 0.0458950
CONNECTIONS:
o EQ62 o EQ63
[ TS726 ] Animation C1 ENERGY= 471.6 kJ/mol
Energy+ZPE= 460.4 kJ/mol ZPE= 0.0452961
CONNECTIONS:
o EQ62 o EQ64
[ TS727 ] Animation C1 ENERGY= 706.2 kJ/mol
Energy+ZPE= 687.4 kJ/mol ZPE= 0.0423694
CONNECTIONS:
o EQ62 o EQ217
[ TS728 ] Animation C1 ENERGY= 762.6 kJ/mol
Energy+ZPE= 749.6 kJ/mol ZPE= 0.0445903
CONNECTIONS:
o EQ62 o EQ225
[ TS729 ] Animation C1 ENERGY= 1079.2 kJ/mol
Energy+ZPE= 1059.1 kJ/mol ZPE= 0.0418801
CONNECTIONS:
o EQ62 o EQ364
[ TS730 ] Animation C1 ENERGY= 1067.3 kJ/mol
Energy+ZPE= 1044.1 kJ/mol ZPE= 0.0407125
CONNECTIONS:
o EQ62 o EQ447
[ TS731 ] Animation C1 ENERGY= 1054.3 kJ/mol
Energy+ZPE= 1029.9 kJ/mol ZPE= 0.0402497
CONNECTIONS:
o EQ62 o EQ470
[ TS732 ] Animation C1 ENERGY= 1054.2 kJ/mol
Energy+ZPE= 1030.7 kJ/mol ZPE= 0.0406045
CONNECTIONS:
o EQ62 o EQ471
[ TS733 ] Animation C1 ENERGY= 1057.9 kJ/mol
Energy+ZPE= 1034.4 kJ/mol ZPE= 0.0405926
CONNECTIONS:
o EQ62 o EQ478
[ TS734 ] Animation C1 ENERGY= 1063.0 kJ/mol
Energy+ZPE= 1039.0 kJ/mol ZPE= 0.0404129
CONNECTIONS:
o EQ62 o EQ479
[ TS735 ] Animation C1 ENERGY= 503.9 kJ/mol
Energy+ZPE= 485.0 kJ/mol ZPE= 0.0423631
CONNECTIONS:
o EQ62 o DDC192
[ TS736 ] Animation C1 ENERGY= 524.8 kJ/mol
Energy+ZPE= 511.5 kJ/mol ZPE= 0.0444823
CONNECTIONS:
o EQ62 o DDC193
[ TS737 ] Animation C1 ENERGY= 631.4 kJ/mol
Energy+ZPE= 605.5 kJ/mol ZPE= 0.0396804
CONNECTIONS:
o EQ62 o DDC194
[ TS738 ] Animation C1 ENERGY= 777.7 kJ/mol
Energy+ZPE= 747.2 kJ/mol ZPE= 0.0379426
CONNECTIONS:
o EQ62 o DDC195
[ TS739 ] Animation C1 ENERGY= 642.1 kJ/mol
Energy+ZPE= 617.0 kJ/mol ZPE= 0.0399774
CONNECTIONS:
o EQ63 o EQ111
[ TS740 ] Animation C1 ENERGY= 651.7 kJ/mol
Energy+ZPE= 627.2 kJ/mol ZPE= 0.0402061
CONNECTIONS:
o EQ63 o EQ114
[ TS741 ] Animation C1 ENERGY= 710.1 kJ/mol
Energy+ZPE= 691.1 kJ/mol ZPE= 0.0423233
CONNECTIONS:
o EQ63 o EQ230
[ TS742 ] Animation C1 ENERGY= 708.1 kJ/mol
Energy+ZPE= 696.4 kJ/mol ZPE= 0.0451087
CONNECTIONS:
o EQ63 o EQ231
[ TS743 ] Animation C1 ENERGY= 709.7 kJ/mol
Energy+ZPE= 692.1 kJ/mol ZPE= 0.0428480
CONNECTIONS:
o EQ63 o EQ239
[ TS744 ] Animation C1 ENERGY= 482.2 kJ/mol
Energy+ZPE= 462.6 kJ/mol ZPE= 0.0420832
CONNECTIONS:
o EQ63 o DDC196
[ TS745 ] Animation C1 ENERGY= 547.0 kJ/mol
Energy+ZPE= 531.6 kJ/mol ZPE= 0.0436694
CONNECTIONS:
o EQ63 o DDC197
[ TS746 ] Animation C1 ENERGY= 652.2 kJ/mol
Energy+ZPE= 630.8 kJ/mol ZPE= 0.0414098
CONNECTIONS:
o EQ63 o DDC198
[ TS747 ] Animation C1 ENERGY= 675.6 kJ/mol
Energy+ZPE= 658.6 kJ/mol ZPE= 0.0430558
CONNECTIONS:
o EQ63 o DDC199
[ TS748 ] Animation C1 ENERGY= 711.3 kJ/mol
Energy+ZPE= 693.3 kJ/mol ZPE= 0.0427079
CONNECTIONS:
o EQ64 o EQ237
[ TS749 ] Animation C1 ENERGY= 777.3 kJ/mol
Energy+ZPE= 763.2 kJ/mol ZPE= 0.0441950
CONNECTIONS:
o EQ64 o EQ239
[ TS750 ] Animation C1 ENERGY= 938.6 kJ/mol
Energy+ZPE= 922.8 kJ/mol ZPE= 0.0435170
CONNECTIONS:
o EQ64 o EQ357
[ TS751 ] Animation C1 ENERGY= 1075.3 kJ/mol
Energy+ZPE= 1052.0 kJ/mol ZPE= 0.0406560
CONNECTIONS:
o EQ64 o EQ459
[ TS752 ] Animation C1 ENERGY= 1058.9 kJ/mol
Energy+ZPE= 1034.7 kJ/mol ZPE= 0.0403326
CONNECTIONS:
o EQ64 o EQ471
[ TS753 ] Animation C1 ENERGY= 541.9 kJ/mol
Energy+ZPE= 527.2 kJ/mol ZPE= 0.0439573
CONNECTIONS:
o EQ64 o DDC200
[ TS754 ] Animation C1 ENERGY= 1086.6 kJ/mol
Energy+ZPE= 1058.4 kJ/mol ZPE= 0.0388073
CONNECTIONS:
o EQ64 o DDC201
[ TS755 ] Animation C1 ENERGY= 569.4 kJ/mol
Energy+ZPE= 557.6 kJ/mol ZPE= 0.0450472
CONNECTIONS:
o EQ65 o EQ90
[ TS756 ] Animation C1 ENERGY= 627.2 kJ/mol
Energy+ZPE= 611.5 kJ/mol ZPE= 0.0435838
CONNECTIONS:
o EQ65 o EQ109
[ TS757 ] Animation C1 ENERGY= 1141.7 kJ/mol
Energy+ZPE= 1117.6 kJ/mol ZPE= 0.0403537
CONNECTIONS:
o EQ65 o EQ357
[ TS758 ] Animation C1 ENERGY= 1346.4 kJ/mol
Energy+ZPE= 1315.9 kJ/mol ZPE= 0.0379491
CONNECTIONS:
o EQ65 o EQ571
[ TS759 ] Animation C2v ENERGY= 691.3 kJ/mol
Energy+ZPE= 680.1 kJ/mol ZPE= 0.0452987
CONNECTIONS:
o EQ66 o EQ66
[ TS760 ] Animation Cs ENERGY= 582.2 kJ/mol
Energy+ZPE= 565.0 kJ/mol ZPE= 0.0430083
CONNECTIONS:
o EQ66 o EQ83
[ TS761 ] Animation C1 ENERGY= 606.1 kJ/mol
Energy+ZPE= 599.8 kJ/mol ZPE= 0.0471299
CONNECTIONS:
o EQ66 o EQ143
[ TS762 ] Animation C1 ENERGY= 624.4 kJ/mol
Energy+ZPE= 607.8 kJ/mol ZPE= 0.0432175
CONNECTIONS:
o EQ66 o DDC202
[ TS763 ] Animation Cs ENERGY= 859.4 kJ/mol
Energy+ZPE= 828.6 kJ/mol ZPE= 0.0378213
CONNECTIONS:
o EQ66 o DDC203
[ TS764 ] Animation C1 ENERGY= 1154.2 kJ/mol
Energy+ZPE= 1135.2 kJ/mol ZPE= 0.0423088
CONNECTIONS:
o EQ66 o DDC204
[ TS765 ] Animation C1 ENERGY= 490.9 kJ/mol
Energy+ZPE= 481.9 kJ/mol ZPE= 0.0461168
CONNECTIONS:
o EQ67 o EQ68
[ TS766 ] Animation Cs ENERGY= 610.9 kJ/mol
Energy+ZPE= 591.5 kJ/mol ZPE= 0.0421520
CONNECTIONS:
o EQ67 o EQ68
[ TS767 ] Animation C1 ENERGY= 508.0 kJ/mol
Energy+ZPE= 496.2 kJ/mol ZPE= 0.0450690
CONNECTIONS:
o EQ67 o EQ70
[ TS768 ] Animation Cs ENERGY= 604.6 kJ/mol
Energy+ZPE= 592.1 kJ/mol ZPE= 0.0448018
CONNECTIONS:
o EQ67 o EQ75
[ TS769 ] Animation C1 ENERGY= 626.7 kJ/mol
Energy+ZPE= 604.6 kJ/mol ZPE= 0.0411335
CONNECTIONS:
o EQ67 o EQ101
[ TS770 ] Animation Cs ENERGY= 756.8 kJ/mol
Energy+ZPE= 735.9 kJ/mol ZPE= 0.0415721
CONNECTIONS:
o EQ67 o EQ263
[ TS771 ] Animation C1 ENERGY= 858.9 kJ/mol
Energy+ZPE= 839.3 kJ/mol ZPE= 0.0420976
CONNECTIONS:
o EQ67 o EQ322
[ TS772 ] Animation C1 ENERGY= 1205.5 kJ/mol
Energy+ZPE= 1184.1 kJ/mol ZPE= 0.0413993
CONNECTIONS:
o EQ67 o EQ468
[ TS773 ] Animation C1 ENERGY= 1083.7 kJ/mol
Energy+ZPE= 1064.0 kJ/mol ZPE= 0.0420321
CONNECTIONS:
o EQ67 o EQ504
[ TS774 ] Animation C1 ENERGY= 1144.7 kJ/mol
Energy+ZPE= 1123.0 kJ/mol ZPE= 0.0412673
CONNECTIONS:
o EQ67 o EQ509
[ TS775 ] Animation C1 ENERGY= 758.5 kJ/mol
Energy+ZPE= 738.5 kJ/mol ZPE= 0.0419411
CONNECTIONS:
o EQ67 o DDC205
[ TS776 ] Animation C1 ENERGY= 890.8 kJ/mol
Energy+ZPE= 866.5 kJ/mol ZPE= 0.0402980
CONNECTIONS:
o EQ67 o DDC206
[ TS777 ] Animation Cs ENERGY= 608.4 kJ/mol
Energy+ZPE= 595.8 kJ/mol ZPE= 0.0447388
CONNECTIONS:
o EQ68 o EQ78
[ TS778 ] Animation C1 ENERGY= 515.6 kJ/mol
Energy+ZPE= 503.5 kJ/mol ZPE= 0.0449337
CONNECTIONS:
o EQ68 o EQ88
[ TS779 ] Animation C1 ENERGY= 765.8 kJ/mol
Energy+ZPE= 750.4 kJ/mol ZPE= 0.0436685
CONNECTIONS:
o EQ68 o EQ248
[ TS780 ] Animation C1 ENERGY= 1159.4 kJ/mol
Energy+ZPE= 1139.0 kJ/mol ZPE= 0.0417928
CONNECTIONS:
o EQ68 o EQ392
[ TS781 ] Animation C1 ENERGY= 890.7 kJ/mol
Energy+ZPE= 866.2 kJ/mol ZPE= 0.0402186
CONNECTIONS:
o EQ68 o DDC207
[ TS782 ] Animation C1 ENERGY= 1140.6 kJ/mol
Energy+ZPE= 1114.7 kJ/mol ZPE= 0.0396975
CONNECTIONS:
o EQ68 o DDC208
[ TS783 ] Animation Cs ENERGY= 789.8 kJ/mol
Energy+ZPE= 760.7 kJ/mol ZPE= 0.0384769
CONNECTIONS:
o EQ69 o EQ69
[ TS784 ] Animation C1 ENERGY= 494.5 kJ/mol
Energy+ZPE= 478.7 kJ/mol ZPE= 0.0435417
CONNECTIONS:
o EQ69 o EQ76
[ TS785 ] Animation C1 ENERGY= 478.1 kJ/mol
Energy+ZPE= 462.8 kJ/mol ZPE= 0.0437121
CONNECTIONS:
o EQ69 o EQ77
[ TS786 ] Animation C1 ENERGY= 602.7 kJ/mol
Energy+ZPE= 586.9 kJ/mol ZPE= 0.0435254
CONNECTIONS:
o EQ69 o EQ93
[ TS787 ] Animation C1 ENERGY= 606.7 kJ/mol
Energy+ZPE= 590.9 kJ/mol ZPE= 0.0435294
CONNECTIONS:
o EQ69 o EQ93
[ TS788 ] Animation C1 ENERGY= 800.4 kJ/mol
Energy+ZPE= 773.4 kJ/mol ZPE= 0.0392813
CONNECTIONS:
o EQ69 o EQ93
[ TS789 ] Animation C1 ENERGY= 776.9 kJ/mol
Energy+ZPE= 762.1 kJ/mol ZPE= 0.0439094
CONNECTIONS:
o EQ69 o EQ297
[ TS790 ] Animation C1 ENERGY= 798.2 kJ/mol
Energy+ZPE= 773.9 kJ/mol ZPE= 0.0402823
CONNECTIONS:
o EQ69 o EQ297
[ TS791 ] Animation C1 ENERGY= 778.6 kJ/mol
Energy+ZPE= 762.4 kJ/mol ZPE= 0.0433787
CONNECTIONS:
o EQ69 o EQ304
[ TS792 ] Animation C1 ENERGY= 813.6 kJ/mol
Energy+ZPE= 795.0 kJ/mol ZPE= 0.0424498
CONNECTIONS:
o EQ69 o EQ304
[ TS793 ] Animation C1 ENERGY= 513.7 kJ/mol
Energy+ZPE= 497.3 kJ/mol ZPE= 0.0432869
CONNECTIONS:
o EQ69 o DDC209
[ TS794 ] Animation C1 ENERGY= 590.0 kJ/mol
Energy+ZPE= 567.6 kJ/mol ZPE= 0.0410221
CONNECTIONS:
o EQ69 o DDC210
[ TS795 ] Animation Cs ENERGY= 593.3 kJ/mol
Energy+ZPE= 564.8 kJ/mol ZPE= 0.0386784
CONNECTIONS:
o EQ69 o DDC211
[ TS796 ] Animation C1 ENERGY= 964.9 kJ/mol
Energy+ZPE= 938.8 kJ/mol ZPE= 0.0395926
CONNECTIONS:
o EQ69 o DDC212
[ TS797 ] Animation C1 ENERGY= 511.7 kJ/mol
Energy+ZPE= 501.7 kJ/mol ZPE= 0.0457528
CONNECTIONS:
o EQ70 o EQ88
[ TS798 ] Animation C1 ENERGY= 647.0 kJ/mol
Energy+ZPE= 624.0 kJ/mol ZPE= 0.0407988
CONNECTIONS:
o EQ70 o EQ114
[ TS799 ] Animation C1 ENERGY= 749.9 kJ/mol
Energy+ZPE= 736.1 kJ/mol ZPE= 0.0442792
CONNECTIONS:
o EQ70 o EQ225
[ TS800 ] Animation C1 ENERGY= 768.6 kJ/mol
Energy+ZPE= 752.6 kJ/mol ZPE= 0.0434686
CONNECTIONS:
o EQ70 o EQ230
[ TS801 ] Animation C1 ENERGY= 762.1 kJ/mol
Energy+ZPE= 748.2 kJ/mol ZPE= 0.0442667
CONNECTIONS:
o EQ70 o EQ244
[ TS802 ] Animation Cs ENERGY= 751.9 kJ/mol
Energy+ZPE= 731.6 kJ/mol ZPE= 0.0418053
CONNECTIONS:
o EQ70 o EQ251
[ TS803 ] Animation Cs ENERGY= 732.1 kJ/mol
Energy+ZPE= 712.4 kJ/mol ZPE= 0.0420569
CONNECTIONS:
o EQ70 o EQ274
[ TS804 ] Animation C1 ENERGY= 1100.6 kJ/mol
Energy+ZPE= 1071.9 kJ/mol ZPE= 0.0386220
CONNECTIONS:
o EQ70 o EQ438
[ TS805 ] Animation C1 ENERGY= 1024.3 kJ/mol
Energy+ZPE= 1006.1 kJ/mol ZPE= 0.0426170
CONNECTIONS:
o EQ70 o EQ445
[ TS806 ] Animation C1 ENERGY= 1030.0 kJ/mol
Energy+ZPE= 1011.3 kJ/mol ZPE= 0.0424074
CONNECTIONS:
o EQ70 o EQ449
[ TS807 ] Animation C1 ENERGY= 1096.1 kJ/mol
Energy+ZPE= 1075.8 kJ/mol ZPE= 0.0418112
CONNECTIONS:
o EQ70 o EQ498
[ TS808 ] Animation C1 ENERGY= 1088.4 kJ/mol
Energy+ZPE= 1068.0 kJ/mol ZPE= 0.0417604
CONNECTIONS:
o EQ70 o EQ504
[ TS809 ] Animation C1 ENERGY= 732.4 kJ/mol
Energy+ZPE= 705.8 kJ/mol ZPE= 0.0394285
CONNECTIONS:
o EQ70 o DDC213
[ TS810 ] Animation C1 ENERGY= 875.7 kJ/mol
Energy+ZPE= 856.1 kJ/mol ZPE= 0.0420715
CONNECTIONS:
o EQ70 o DDC214
[ TS811 ] Animation C1 ENERGY= 1081.0 kJ/mol
Energy+ZPE= 1051.9 kJ/mol ZPE= 0.0384658
CONNECTIONS:
o EQ70 o DDC215
[ TS812 ] Animation C1 ENERGY= 1123.1 kJ/mol
Energy+ZPE= 1090.2 kJ/mol ZPE= 0.0370057
CONNECTIONS:
o EQ70 o DDC216
[ TS813 ] Animation Cs ENERGY= 475.1 kJ/mol
Energy+ZPE= 464.6 kJ/mol ZPE= 0.0455389
CONNECTIONS:
o EQ71 o EQ71
[ TS814 ] Animation Cs ENERGY= 516.5 kJ/mol
Energy+ZPE= 503.9 kJ/mol ZPE= 0.0447319
CONNECTIONS:
o EQ71 o EQ71
[ TS815 ] Animation C1 ENERGY= 541.3 kJ/mol
Energy+ZPE= 524.4 kJ/mol ZPE= 0.0431263
CONNECTIONS:
o EQ71 o EQ72
[ TS816 ] Animation C1 ENERGY= 544.4 kJ/mol
Energy+ZPE= 527.2 kJ/mol ZPE= 0.0430125
CONNECTIONS:
o EQ71 o EQ72
[ TS817 ] Animation C1 ENERGY= 534.3 kJ/mol
Energy+ZPE= 520.8 kJ/mol ZPE= 0.0443940
CONNECTIONS:
o EQ71 o EQ79
[ TS818 ] Animation C1 ENERGY= 537.4 kJ/mol
Energy+ZPE= 525.1 kJ/mol ZPE= 0.0448581
CONNECTIONS:
o EQ71 o EQ79
[ TS819 ] Animation C1 ENERGY= 758.6 kJ/mol
Energy+ZPE= 740.6 kJ/mol ZPE= 0.0426900
CONNECTIONS:
o EQ71 o EQ140
[ TS820 ] Animation C1 ENERGY= 789.8 kJ/mol
Energy+ZPE= 772.4 kJ/mol ZPE= 0.0429119
CONNECTIONS:
o EQ71 o EQ315
[ TS821 ] Animation C1 ENERGY= 489.9 kJ/mol
Energy+ZPE= 474.8 kJ/mol ZPE= 0.0437980
CONNECTIONS:
o EQ71 o DDC217
[ TS822 ] Animation C1 ENERGY= 489.9 kJ/mol
Energy+ZPE= 474.9 kJ/mol ZPE= 0.0438198
CONNECTIONS:
o EQ71 o DDC218
[ TS823 ] Animation C1 ENERGY= 562.4 kJ/mol
Energy+ZPE= 549.2 kJ/mol ZPE= 0.0445112
CONNECTIONS:
o EQ71 o DDC219
[ TS824 ] Animation C1 ENERGY= 569.6 kJ/mol
Energy+ZPE= 556.6 kJ/mol ZPE= 0.0446022
CONNECTIONS:
o EQ71 o DDC220
[ TS825 ] Animation C1 ENERGY= 855.3 kJ/mol
Energy+ZPE= 834.0 kJ/mol ZPE= 0.0414436
CONNECTIONS:
o EQ71 o DDC221
[ TS826 ] Animation C1 ENERGY= 475.0 kJ/mol
Energy+ZPE= 462.8 kJ/mol ZPE= 0.0449182
CONNECTIONS:
o EQ72 o EQ72
[ TS827 ] Animation Cs ENERGY= 515.3 kJ/mol
Energy+ZPE= 501.0 kJ/mol ZPE= 0.0440996
CONNECTIONS:
o EQ72 o EQ72
[ TS828 ] Animation C1 ENERGY= 533.5 kJ/mol
Energy+ZPE= 518.6 kJ/mol ZPE= 0.0438592
CONNECTIONS:
o EQ72 o EQ80
[ TS829 ] Animation C1 ENERGY= 536.1 kJ/mol
Energy+ZPE= 522.1 kJ/mol ZPE= 0.0442318
CONNECTIONS:
o EQ72 o EQ80
[ TS830 ] Animation C1 ENERGY= 537.2 kJ/mol
Energy+ZPE= 521.9 kJ/mol ZPE= 0.0437318
CONNECTIONS:
o EQ72 o EQ80
[ TS831 ] Animation C1 ENERGY= 698.9 kJ/mol
Energy+ZPE= 685.0 kJ/mol ZPE= 0.0442678
CONNECTIONS:
o EQ72 o EQ199
[ TS832 ] Animation C1 ENERGY= 815.1 kJ/mol
Energy+ZPE= 796.4 kJ/mol ZPE= 0.0424265
CONNECTIONS:
o EQ72 o EQ248
[ TS833 ] Animation C1 ENERGY= 883.7 kJ/mol
Energy+ZPE= 861.1 kJ/mol ZPE= 0.0409439
CONNECTIONS:
o EQ72 o EQ367
[ TS834 ] Animation C1 ENERGY= 1037.7 kJ/mol
Energy+ZPE= 1017.5 kJ/mol ZPE= 0.0418642
CONNECTIONS:
o EQ72 o EQ408
[ TS835 ] Animation C1 ENERGY= 495.5 kJ/mol
Energy+ZPE= 478.6 kJ/mol ZPE= 0.0431045
CONNECTIONS:
o EQ72 o DDC222
[ TS836 ] Animation C1 ENERGY= 538.8 kJ/mol
Energy+ZPE= 525.5 kJ/mol ZPE= 0.0444708
CONNECTIONS:
o EQ72 o DDC223
[ TS837 ] Animation C1 ENERGY= 557.2 kJ/mol
Energy+ZPE= 542.0 kJ/mol ZPE= 0.0437612
CONNECTIONS:
o EQ72 o DDC224
[ TS838 ] Animation C1 ENERGY= 603.3 kJ/mol
Energy+ZPE= 576.5 kJ/mol ZPE= 0.0393471
CONNECTIONS:
o EQ72 o DDC225
[ TS839 ] Animation C1 ENERGY= 829.1 kJ/mol
Energy+ZPE= 808.3 kJ/mol ZPE= 0.0416271
CONNECTIONS:
o EQ72 o DDC226
[ TS840 ] Animation Cs ENERGY= 500.9 kJ/mol
Energy+ZPE= 487.7 kJ/mol ZPE= 0.0445244
CONNECTIONS:
o EQ73 o EQ73
[ TS841 ] Animation Cs ENERGY= 501.0 kJ/mol
Energy+ZPE= 488.6 kJ/mol ZPE= 0.0448359
CONNECTIONS:
o EQ73 o EQ73
[ TS842 ] Animation Cs ENERGY= 509.0 kJ/mol
Energy+ZPE= 494.9 kJ/mol ZPE= 0.0441799
CONNECTIONS:
o EQ73 o EQ73
[ TS843 ] Animation Cs ENERGY= 518.4 kJ/mol
Energy+ZPE= 503.8 kJ/mol ZPE= 0.0439889
CONNECTIONS:
o EQ73 o EQ73
[ TS844 ] Animation Cs ENERGY= 628.6 kJ/mol
Energy+ZPE= 602.1 kJ/mol ZPE= 0.0394551
CONNECTIONS:
o EQ73 o EQ73
[ TS845 ] Animation C1 ENERGY= 616.0 kJ/mol
Energy+ZPE= 595.9 kJ/mol ZPE= 0.0418980
CONNECTIONS:
o EQ73 o EQ86
[ TS846 ] Animation C1 ENERGY= 523.8 kJ/mol
Energy+ZPE= 506.3 kJ/mol ZPE= 0.0428841
CONNECTIONS:
o EQ73 o EQ100
[ TS847 ] Animation C1 ENERGY= 776.4 kJ/mol
Energy+ZPE= 758.0 kJ/mol ZPE= 0.0425293
CONNECTIONS:
o EQ73 o EQ123
[ TS848 ] Animation C1 ENERGY= 991.7 kJ/mol
Energy+ZPE= 966.5 kJ/mol ZPE= 0.0399565
CONNECTIONS:
o EQ73 o EQ129
[ TS849 ] Animation C1 ENERGY= 748.5 kJ/mol
Energy+ZPE= 732.8 kJ/mol ZPE= 0.0435514
CONNECTIONS:
o EQ73 o EQ130
[ TS850 ] Animation C1 ENERGY= 751.5 kJ/mol
Energy+ZPE= 726.7 kJ/mol ZPE= 0.0400920
CONNECTIONS:
o EQ73 o EQ131
[ TS851 ] Animation C1 ENERGY= 766.9 kJ/mol
Energy+ZPE= 742.8 kJ/mol ZPE= 0.0403597
CONNECTIONS:
o EQ73 o EQ134
[ TS852 ] Animation C1 ENERGY= 686.5 kJ/mol
Energy+ZPE= 671.8 kJ/mol ZPE= 0.0439426
CONNECTIONS:
o EQ73 o EQ185
[ TS853 ] Animation C1 ENERGY= 741.3 kJ/mol
Energy+ZPE= 720.5 kJ/mol ZPE= 0.0416394
CONNECTIONS:
o EQ73 o EQ195
[ TS854 ] Animation C1 ENERGY= 685.2 kJ/mol
Energy+ZPE= 669.2 kJ/mol ZPE= 0.0434659
CONNECTIONS:
o EQ73 o EQ206
[ TS855 ] Animation C1 ENERGY= 696.0 kJ/mol
Energy+ZPE= 679.1 kJ/mol ZPE= 0.0431272
CONNECTIONS:
o EQ73 o EQ215
[ TS856 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 675.8 kJ/mol ZPE= 0.0433475
CONNECTIONS:
o EQ73 o EQ220
[ TS857 ] Animation C1 ENERGY= 695.1 kJ/mol
Energy+ZPE= 672.4 kJ/mol ZPE= 0.0408954
CONNECTIONS:
o EQ73 o EQ241
[ TS858 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 671.4 kJ/mol ZPE= 0.0416648
CONNECTIONS:
o EQ73 o EQ242
[ TS859 ] Animation C1 ENERGY= 703.2 kJ/mol
Energy+ZPE= 691.4 kJ/mol ZPE= 0.0450402
CONNECTIONS:
o EQ73 o EQ260
[ TS860 ] Animation C1 ENERGY= 717.5 kJ/mol
Energy+ZPE= 703.5 kJ/mol ZPE= 0.0442167
CONNECTIONS:
o EQ73 o EQ263
[ TS861 ] Animation C1 ENERGY= 719.1 kJ/mol
Energy+ZPE= 704.3 kJ/mol ZPE= 0.0438931
CONNECTIONS:
o EQ73 o EQ263
[ TS862 ] Animation Cs ENERGY= 853.0 kJ/mol
Energy+ZPE= 831.6 kJ/mol ZPE= 0.0413853
CONNECTIONS:
o EQ73 o EQ263
[ TS863 ] Animation C1 ENERGY= 723.6 kJ/mol
Energy+ZPE= 708.0 kJ/mol ZPE= 0.0435940
CONNECTIONS:
o EQ73 o EQ281
[ TS864 ] Animation C1 ENERGY= 847.5 kJ/mol
Energy+ZPE= 822.0 kJ/mol ZPE= 0.0398198
CONNECTIONS:
o EQ73 o EQ313
[ TS865 ] Animation C1 ENERGY= 1111.8 kJ/mol
Energy+ZPE= 1087.9 kJ/mol ZPE= 0.0404615
CONNECTIONS:
o EQ73 o EQ489
[ TS866 ] Animation C1 ENERGY= 501.4 kJ/mol
Energy+ZPE= 482.0 kJ/mol ZPE= 0.0421579
CONNECTIONS:
o EQ73 o DDC227
[ TS867 ] Animation C1 ENERGY= 502.6 kJ/mol
Energy+ZPE= 483.1 kJ/mol ZPE= 0.0421048
CONNECTIONS:
o EQ73 o DDC228
[ TS868 ] Animation C1 ENERGY= 521.3 kJ/mol
Energy+ZPE= 501.8 kJ/mol ZPE= 0.0421058
CONNECTIONS:
o EQ73 o DDC229
[ TS869 ] Animation C1 ENERGY= 724.6 kJ/mol
Energy+ZPE= 709.2 kJ/mol ZPE= 0.0436846
CONNECTIONS:
o EQ73 o DDC230
[ TS870 ] Animation C1 ENERGY= 895.1 kJ/mol
Energy+ZPE= 868.2 kJ/mol ZPE= 0.0393187
CONNECTIONS:
o EQ73 o DDC231
[ TS871 ] Animation C1 ENERGY= 917.8 kJ/mol
Energy+ZPE= 902.5 kJ/mol ZPE= 0.0437238
CONNECTIONS:
o EQ73 o DDC232
[ TS872 ] Animation C1 ENERGY= 1022.5 kJ/mol
Energy+ZPE= 997.3 kJ/mol ZPE= 0.0399404
CONNECTIONS:
o EQ73 o DDC233
[ TS873 ] Animation Cs ENERGY= 611.6 kJ/mol
Energy+ZPE= 596.6 kJ/mol ZPE= 0.0438423
CONNECTIONS:
o EQ74 o EQ92
[ TS874 ] Animation C1 ENERGY= 518.0 kJ/mol
Energy+ZPE= 507.4 kJ/mol ZPE= 0.0455158
CONNECTIONS:
o EQ74 o EQ97
[ TS875 ] Animation C1 ENERGY= 846.1 kJ/mol
Energy+ZPE= 822.2 kJ/mol ZPE= 0.0404591
CONNECTIONS:
o EQ74 o EQ347
[ TS876 ] Animation Cs ENERGY= 483.3 kJ/mol
Energy+ZPE= 464.1 kJ/mol ZPE= 0.0422395
CONNECTIONS:
o EQ74 o DDC234
[ TS877 ] Animation C1 ENERGY= 487.0 kJ/mol
Energy+ZPE= 478.6 kJ/mol ZPE= 0.0463326
CONNECTIONS:
o EQ75 o EQ78
[ TS878 ] Animation Cs ENERGY= 624.6 kJ/mol
Energy+ZPE= 605.4 kJ/mol ZPE= 0.0422164
CONNECTIONS:
o EQ75 o EQ78
[ TS879 ] Animation C1 ENERGY= 570.3 kJ/mol
Energy+ZPE= 559.3 kJ/mol ZPE= 0.0453425
CONNECTIONS:
o EQ75 o EQ119
[ TS880 ] Animation C1 ENERGY= 870.8 kJ/mol
Energy+ZPE= 847.3 kJ/mol ZPE= 0.0405880
CONNECTIONS:
o EQ75 o EQ147
[ TS881 ] Animation C1 ENERGY= 766.9 kJ/mol
Energy+ZPE= 750.4 kJ/mol ZPE= 0.0432743
CONNECTIONS:
o EQ75 o EQ179
[ TS882 ] Animation Cs ENERGY= 755.5 kJ/mol
Energy+ZPE= 734.6 kJ/mol ZPE= 0.0415688
CONNECTIONS:
o EQ75 o EQ260
[ TS883 ] Animation C1 ENERGY= 884.8 kJ/mol
Energy+ZPE= 858.0 kJ/mol ZPE= 0.0393520
CONNECTIONS:
o EQ75 o EQ313
[ TS884 ] Animation C1 ENERGY= 887.7 kJ/mol
Energy+ZPE= 860.4 kJ/mol ZPE= 0.0391674
CONNECTIONS:
o EQ75 o EQ313
[ TS885 ] Animation C1 ENERGY= 931.6 kJ/mol
Energy+ZPE= 910.6 kJ/mol ZPE= 0.0415416
CONNECTIONS:
o EQ75 o EQ348
[ TS886 ] Animation C1 ENERGY= 595.0 kJ/mol
Energy+ZPE= 580.0 kJ/mol ZPE= 0.0438239
CONNECTIONS:
o EQ75 o DDC235
[ TS887 ] Animation C1 ENERGY= 890.1 kJ/mol
Energy+ZPE= 865.5 kJ/mol ZPE= 0.0401818
CONNECTIONS:
o EQ75 o DDC236
[ TS888 ] Animation C1 ENERGY= 487.8 kJ/mol
Energy+ZPE= 471.9 kJ/mol ZPE= 0.0434766
CONNECTIONS:
o EQ76 o EQ85
[ TS889 ] Animation C1 ENERGY= 615.9 kJ/mol
Energy+ZPE= 599.4 kJ/mol ZPE= 0.0432455
CONNECTIONS:
o EQ76 o EQ95
[ TS890 ] Animation C1 ENERGY= 617.5 kJ/mol
Energy+ZPE= 600.7 kJ/mol ZPE= 0.0431312
CONNECTIONS:
o EQ76 o EQ95
[ TS891 ] Animation C1 ENERGY= 624.6 kJ/mol
Energy+ZPE= 607.6 kJ/mol ZPE= 0.0430655
CONNECTIONS:
o EQ76 o EQ102
[ TS892 ] Animation C1 ENERGY= 682.6 kJ/mol
Energy+ZPE= 668.2 kJ/mol ZPE= 0.0440715
CONNECTIONS:
o EQ76 o EQ201
[ TS893 ] Animation C1 ENERGY= 679.8 kJ/mol
Energy+ZPE= 665.7 kJ/mol ZPE= 0.0441611
CONNECTIONS:
o EQ76 o EQ204
[ TS894 ] Animation Cs ENERGY= 833.0 kJ/mol
Energy+ZPE= 800.8 kJ/mol ZPE= 0.0372661
CONNECTIONS:
o EQ76 o EQ221
[ TS895 ] Animation C1 ENERGY= 806.3 kJ/mol
Energy+ZPE= 781.2 kJ/mol ZPE= 0.0399900
CONNECTIONS:
o EQ76 o EQ300
[ TS896 ] Animation C1 ENERGY= 830.2 kJ/mol
Energy+ZPE= 810.7 kJ/mol ZPE= 0.0421169
CONNECTIONS:
o EQ76 o EQ300
[ TS897 ] Animation C1 ENERGY= 794.4 kJ/mol
Energy+ZPE= 777.3 kJ/mol ZPE= 0.0430354
CONNECTIONS:
o EQ76 o EQ311
[ TS898 ] Animation C1 ENERGY= 907.4 kJ/mol
Energy+ZPE= 888.2 kJ/mol ZPE= 0.0422304
CONNECTIONS:
o EQ76 o EQ311
[ TS899 ] Animation C1 ENERGY= 975.8 kJ/mol
Energy+ZPE= 955.8 kJ/mol ZPE= 0.0419463
CONNECTIONS:
o EQ76 o EQ338
[ TS900 ] Animation C1 ENERGY= 501.6 kJ/mol
Energy+ZPE= 485.8 kJ/mol ZPE= 0.0435191
CONNECTIONS:
o EQ76 o DDC237
[ TS901 ] Animation C1 ENERGY= 577.8 kJ/mol
Energy+ZPE= 556.0 kJ/mol ZPE= 0.0412581
CONNECTIONS:
o EQ76 o DDC238
[ TS902 ] Animation C1 ENERGY= 936.2 kJ/mol
Energy+ZPE= 921.6 kJ/mol ZPE= 0.0439960
CONNECTIONS:
o EQ76 o DDC239
[ TS903 ] Animation Cs ENERGY= 832.3 kJ/mol
Energy+ZPE= 801.0 kJ/mol ZPE= 0.0376404
CONNECTIONS:
o EQ77 o EQ205
[ TS904 ] Animation C1 ENERGY= 587.3 kJ/mol
Energy+ZPE= 566.4 kJ/mol ZPE= 0.0415836
CONNECTIONS:
o EQ77 o DDC240
[ TS905 ] Animation Cs ENERGY= 591.3 kJ/mol
Energy+ZPE= 564.4 kJ/mol ZPE= 0.0393154
CONNECTIONS:
o EQ77 o DDC241
[ TS906 ] Animation C1 ENERGY= 664.1 kJ/mol
Energy+ZPE= 639.8 kJ/mol ZPE= 0.0402827
CONNECTIONS:
o EQ77 o DDC242
[ TS907 ] Animation C1 ENERGY= 973.4 kJ/mol
Energy+ZPE= 945.5 kJ/mol ZPE= 0.0389338
CONNECTIONS:
o EQ77 o DDC243
[ TS908 ] Animation C1 ENERGY= 530.4 kJ/mol
Energy+ZPE= 518.3 kJ/mol ZPE= 0.0449205
CONNECTIONS:
o EQ78 o EQ98
[ TS909 ] Animation C1 ENERGY= 719.2 kJ/mol
Energy+ZPE= 704.0 kJ/mol ZPE= 0.0437601
CONNECTIONS:
o EQ78 o EQ113
[ TS910 ] Animation C1 ENERGY= 1013.5 kJ/mol
Energy+ZPE= 992.5 kJ/mol ZPE= 0.0415628
CONNECTIONS:
o EQ78 o EQ133
[ TS911 ] Animation C1 ENERGY= 692.2 kJ/mol
Energy+ZPE= 680.1 kJ/mol ZPE= 0.0449202
CONNECTIONS:
o EQ78 o EQ202
[ TS912 ] Animation C1 ENERGY= 930.8 kJ/mol
Energy+ZPE= 909.6 kJ/mol ZPE= 0.0414759
CONNECTIONS:
o EQ78 o EQ348
[ TS913 ] Animation C1 ENERGY= 798.4 kJ/mol
Energy+ZPE= 771.2 kJ/mol ZPE= 0.0392003
CONNECTIONS:
o EQ78 o DDC244
[ TS914 ] Animation Cs ENERGY= 477.8 kJ/mol
Energy+ZPE= 466.6 kJ/mol ZPE= 0.0452762
CONNECTIONS:
o EQ79 o EQ79
[ TS915 ] Animation Cs ENERGY= 501.4 kJ/mol
Energy+ZPE= 489.3 kJ/mol ZPE= 0.0449490
CONNECTIONS:
o EQ79 o EQ79
[ TS916 ] Animation C1 ENERGY= 549.0 kJ/mol
Energy+ZPE= 530.9 kJ/mol ZPE= 0.0426616
CONNECTIONS:
o EQ79 o EQ80
[ TS917 ] Animation C1 ENERGY= 562.4 kJ/mol
Energy+ZPE= 551.1 kJ/mol ZPE= 0.0452391
CONNECTIONS:
o EQ79 o EQ90
[ TS918 ] Animation C1 ENERGY= 765.9 kJ/mol
Energy+ZPE= 738.0 kJ/mol ZPE= 0.0389177
CONNECTIONS:
o EQ79 o EQ302
[ TS919 ] Animation Cs ENERGY= 491.2 kJ/mol
Energy+ZPE= 476.8 kJ/mol ZPE= 0.0440702
CONNECTIONS:
o EQ79 o DDC245
[ TS920 ] Animation C1 ENERGY= 627.6 kJ/mol
Energy+ZPE= 603.7 kJ/mol ZPE= 0.0404627
CONNECTIONS:
o EQ79 o DDC246
[ TS921 ] Animation C1 ENERGY= 750.5 kJ/mol
Energy+ZPE= 733.4 kJ/mol ZPE= 0.0430483
CONNECTIONS:
o EQ79 o DDC247
[ TS922 ] Animation Cs ENERGY= 483.2 kJ/mol
Energy+ZPE= 470.1 kJ/mol ZPE= 0.0445460
CONNECTIONS:
o EQ80 o EQ80
[ TS923 ] Animation Cs ENERGY= 498.7 kJ/mol
Energy+ZPE= 485.2 kJ/mol ZPE= 0.0444073
CONNECTIONS:
o EQ80 o EQ80
[ TS924 ] Animation C1 ENERGY= 566.3 kJ/mol
Energy+ZPE= 553.6 kJ/mol ZPE= 0.0447177
CONNECTIONS:
o EQ80 o EQ99
[ TS925 ] Animation C1 ENERGY= 788.4 kJ/mol
Energy+ZPE= 760.8 kJ/mol ZPE= 0.0390460
CONNECTIONS:
o EQ80 o EQ317
[ TS926 ] Animation Cs ENERGY= 501.2 kJ/mol
Energy+ZPE= 485.0 kJ/mol ZPE= 0.0433653
CONNECTIONS:
o EQ80 o DDC248
[ TS927 ] Animation C1 ENERGY= 505.6 kJ/mol
Energy+ZPE= 489.4 kJ/mol ZPE= 0.0433599
CONNECTIONS:
o EQ80 o DDC249
[ TS928 ] Animation C1 ENERGY= 552.6 kJ/mol
Energy+ZPE= 537.4 kJ/mol ZPE= 0.0437543
CONNECTIONS:
o EQ80 o DDC250
[ TS929 ] Animation C1 ENERGY= 613.6 kJ/mol
Energy+ZPE= 586.1 kJ/mol ZPE= 0.0390760
CONNECTIONS:
o EQ80 o DDC251
[ TS930 ] Animation C1 ENERGY= 622.1 kJ/mol
Energy+ZPE= 597.0 kJ/mol ZPE= 0.0400025
CONNECTIONS:
o EQ80 o DDC252
[ TS931 ] Animation C1 ENERGY= 800.6 kJ/mol
Energy+ZPE= 776.0 kJ/mol ZPE= 0.0401797
CONNECTIONS:
o EQ80 o DDC253
[ TS932 ] Animation C1 ENERGY= 495.9 kJ/mol
Energy+ZPE= 478.3 kJ/mol ZPE= 0.0428251
CONNECTIONS:
o EQ81 o EQ86
[ TS933 ] Animation C1 ENERGY= 507.3 kJ/mol
Energy+ZPE= 491.2 kJ/mol ZPE= 0.0433964
CONNECTIONS:
o EQ81 o EQ86
[ TS934 ] Animation C1 ENERGY= 528.9 kJ/mol
Energy+ZPE= 516.3 kJ/mol ZPE= 0.0447493
CONNECTIONS:
o EQ81 o EQ86
[ TS935 ] Animation C1 ENERGY= 531.3 kJ/mol
Energy+ZPE= 518.6 kJ/mol ZPE= 0.0446958
CONNECTIONS:
o EQ81 o EQ86
[ TS936 ] Animation C1 ENERGY= 546.3 kJ/mol
Energy+ZPE= 533.7 kJ/mol ZPE= 0.0447485
CONNECTIONS:
o EQ81 o EQ86
[ TS937 ] Animation C1 ENERGY= 608.9 kJ/mol
Energy+ZPE= 585.7 kJ/mol ZPE= 0.0407028
CONNECTIONS:
o EQ81 o EQ90
[ TS938 ] Animation C1 ENERGY= 608.0 kJ/mol
Energy+ZPE= 584.3 kJ/mol ZPE= 0.0405298
CONNECTIONS:
o EQ81 o EQ99
[ TS939 ] Animation C1 ENERGY= 636.5 kJ/mol
Energy+ZPE= 617.5 kJ/mol ZPE= 0.0423228
CONNECTIONS:
o EQ81 o EQ100
[ TS940 ] Animation C1 ENERGY= 645.7 kJ/mol
Energy+ZPE= 629.5 kJ/mol ZPE= 0.0433960
CONNECTIONS:
o EQ81 o EQ129
[ TS941 ] Animation C1 ENERGY= 646.4 kJ/mol
Energy+ZPE= 630.4 kJ/mol ZPE= 0.0434502
CONNECTIONS:
o EQ81 o EQ129
[ TS942 ] Animation C1 ENERGY= 652.3 kJ/mol
Energy+ZPE= 635.6 kJ/mol ZPE= 0.0431855
CONNECTIONS:
o EQ81 o EQ132
[ TS943 ] Animation C1 ENERGY= 744.3 kJ/mol
Energy+ZPE= 721.0 kJ/mol ZPE= 0.0406620
CONNECTIONS:
o EQ81 o EQ132
[ TS944 ] Animation C1 ENERGY= 747.2 kJ/mol
Energy+ZPE= 724.0 kJ/mol ZPE= 0.0406948
CONNECTIONS:
o EQ81 o EQ134
[ TS945 ] Animation C1 ENERGY= 706.5 kJ/mol
Energy+ZPE= 689.1 kJ/mol ZPE= 0.0429277
CONNECTIONS:
o EQ81 o EQ170
[ TS946 ] Animation C1 ENERGY= 1041.2 kJ/mol
Energy+ZPE= 1022.2 kJ/mol ZPE= 0.0423203
CONNECTIONS:
o EQ81 o EQ215
[ TS947 ] Animation C1 ENERGY= 1023.9 kJ/mol
Energy+ZPE= 997.9 kJ/mol ZPE= 0.0396574
CONNECTIONS:
o EQ81 o EQ227
[ TS948 ] Animation C1 ENERGY= 729.4 kJ/mol
Energy+ZPE= 708.0 kJ/mol ZPE= 0.0414095
CONNECTIONS:
o EQ81 o EQ250
[ TS949 ] Animation C1 ENERGY= 821.2 kJ/mol
Energy+ZPE= 801.9 kJ/mol ZPE= 0.0422001
CONNECTIONS:
o EQ81 o EQ292
[ TS950 ] Animation C1 ENERGY= 836.6 kJ/mol
Energy+ZPE= 818.3 kJ/mol ZPE= 0.0425804
CONNECTIONS:
o EQ81 o EQ292
[ TS951 ] Animation C1 ENERGY= 1029.8 kJ/mol
Energy+ZPE= 1009.7 kJ/mol ZPE= 0.0418882
CONNECTIONS:
o EQ81 o EQ450
[ TS952 ] Animation C1 ENERGY= 1027.4 kJ/mol
Energy+ZPE= 1007.9 kJ/mol ZPE= 0.0421191
CONNECTIONS:
o EQ81 o EQ452
[ TS953 ] Animation C1 ENERGY= 490.8 kJ/mol
Energy+ZPE= 473.8 kJ/mol ZPE= 0.0430711
CONNECTIONS:
o EQ81 o DDC254
[ TS954 ] Animation C1 ENERGY= 579.2 kJ/mol
Energy+ZPE= 560.9 kJ/mol ZPE= 0.0425792
CONNECTIONS:
o EQ81 o DDC255
[ TS955 ] Animation C1 ENERGY= 584.2 kJ/mol
Energy+ZPE= 563.1 kJ/mol ZPE= 0.0415097
CONNECTIONS:
o EQ81 o DDC256
[ TS956 ] Animation C1 ENERGY= 611.1 kJ/mol
Energy+ZPE= 590.5 kJ/mol ZPE= 0.0417077
CONNECTIONS:
o EQ81 o DDC257
[ TS957 ] Animation C1 ENERGY= 749.0 kJ/mol
Energy+ZPE= 725.4 kJ/mol ZPE= 0.0405505
CONNECTIONS:
o EQ81 o DDC258
[ TS958 ] Animation C1 ENERGY= 848.2 kJ/mol
Energy+ZPE= 826.4 kJ/mol ZPE= 0.0412267
CONNECTIONS:
o EQ81 o DDC259
[ TS959 ] Animation C1 ENERGY= 1014.6 kJ/mol
Energy+ZPE= 995.2 kJ/mol ZPE= 0.0421707
CONNECTIONS:
o EQ81 o DDC260
[ TS960 ] Animation C1 ENERGY= 623.2 kJ/mol
Energy+ZPE= 609.1 kJ/mol ZPE= 0.0441954
CONNECTIONS:
o EQ82 o EQ90
[ TS961 ] Animation C1 ENERGY= 864.1 kJ/mol
Energy+ZPE= 841.1 kJ/mol ZPE= 0.0407752
CONNECTIONS:
o EQ82 o EQ90
[ TS962 ] Animation C1 ENERGY= 563.4 kJ/mol
Energy+ZPE= 551.4 kJ/mol ZPE= 0.0449878
CONNECTIONS:
o EQ82 o EQ109
[ TS963 ] Animation Cs ENERGY= 558.8 kJ/mol
Energy+ZPE= 541.7 kJ/mol ZPE= 0.0430201
CONNECTIONS:
o EQ82 o EQ118
[ TS964 ] Animation Cs ENERGY= 851.8 kJ/mol
Energy+ZPE= 828.2 kJ/mol ZPE= 0.0405549
CONNECTIONS:
o EQ82 o EQ267
[ TS965 ] Animation Cs ENERGY= 810.3 kJ/mol
Energy+ZPE= 782.3 kJ/mol ZPE= 0.0388947
CONNECTIONS:
o EQ82 o EQ290
[ TS966 ] Animation C1 ENERGY= 780.7 kJ/mol
Energy+ZPE= 764.3 kJ/mol ZPE= 0.0432986
CONNECTIONS:
o EQ82 o EQ293
[ TS967 ] Animation C1 ENERGY= 791.3 kJ/mol
Energy+ZPE= 767.6 kJ/mol ZPE= 0.0405138
CONNECTIONS:
o EQ82 o DDC261
[ TS968 ] Animation C1 ENERGY= 858.9 kJ/mol
Energy+ZPE= 830.6 kJ/mol ZPE= 0.0387761
CONNECTIONS:
o EQ82 o DDC262
[ TS969 ] Animation C1 ENERGY= 1005.7 kJ/mol
Energy+ZPE= 981.6 kJ/mol ZPE= 0.0403623
CONNECTIONS:
o EQ82 o DDC263
[ TS970 ] Animation Cs ENERGY= 485.4 kJ/mol
Energy+ZPE= 458.6 kJ/mol ZPE= 0.0393391
CONNECTIONS:
o EQ83 o DDC264
[ TS971 ] Animation C1 ENERGY= 509.3 kJ/mol
Energy+ZPE= 487.3 kJ/mol ZPE= 0.0411822
CONNECTIONS:
o EQ83 o DDC265
[ TS972 ] Animation Cs ENERGY= 608.9 kJ/mol
Energy+ZPE= 594.6 kJ/mol ZPE= 0.0441023
CONNECTIONS:
o EQ84 o EQ87
[ TS973 ] Animation C1 ENERGY= 528.1 kJ/mol
Energy+ZPE= 516.9 kJ/mol ZPE= 0.0452992
CONNECTIONS:
o EQ84 o EQ97
[ TS974 ] Animation Cs ENERGY= 701.2 kJ/mol
Energy+ZPE= 685.4 kJ/mol ZPE= 0.0435322
CONNECTIONS:
o EQ84 o EQ125
[ TS975 ] Animation C1 ENERGY= 701.3 kJ/mol
Energy+ZPE= 685.4 kJ/mol ZPE= 0.0434905
CONNECTIONS:
o EQ84 o EQ125
[ TS976 ] Animation C1 ENERGY= 977.2 kJ/mol
Energy+ZPE= 951.0 kJ/mol ZPE= 0.0395648
CONNECTIONS:
o EQ84 o EQ169
[ TS977 ] Animation C1 ENERGY= 848.9 kJ/mol
Energy+ZPE= 820.7 kJ/mol ZPE= 0.0388157
CONNECTIONS:
o EQ84 o EQ300
[ TS978 ] Animation C1 ENERGY= 968.2 kJ/mol
Energy+ZPE= 949.9 kJ/mol ZPE= 0.0425786
CONNECTIONS:
o EQ84 o EQ393
[ TS979 ] Animation Cs ENERGY= 694.5 kJ/mol
Energy+ZPE= 675.4 kJ/mol ZPE= 0.0422696
CONNECTIONS:
o EQ84 o DDC266
[ TS980 ] Animation C1 ENERGY= 1190.0 kJ/mol
Energy+ZPE= 1166.5 kJ/mol ZPE= 0.0406135
CONNECTIONS:
o EQ84 o DDC267
[ TS981 ] Animation C1 ENERGY= 1193.3 kJ/mol
Energy+ZPE= 1168.9 kJ/mol ZPE= 0.0402513
CONNECTIONS:
o EQ84 o DDC268
[ TS982 ] Animation C1 ENERGY= 745.2 kJ/mol
Energy+ZPE= 730.9 kJ/mol ZPE= 0.0441021
CONNECTIONS:
o EQ86 o EQ116
[ TS983 ] Animation C1 ENERGY= 658.2 kJ/mol
Energy+ZPE= 640.9 kJ/mol ZPE= 0.0429462
CONNECTIONS:
o EQ86 o EQ128
[ TS984 ] Animation C1 ENERGY= 641.5 kJ/mol
Energy+ZPE= 625.9 kJ/mol ZPE= 0.0435915
CONNECTIONS:
o EQ86 o EQ129
[ TS985 ] Animation C1 ENERGY= 644.2 kJ/mol
Energy+ZPE= 628.3 kJ/mol ZPE= 0.0434889
CONNECTIONS:
o EQ86 o EQ134
[ TS986 ] Animation C1 ENERGY= 661.3 kJ/mol
Energy+ZPE= 643.7 kJ/mol ZPE= 0.0428442
CONNECTIONS:
o EQ86 o EQ141
[ TS987 ] Animation C1 ENERGY= 703.5 kJ/mol
Energy+ZPE= 686.2 kJ/mol ZPE= 0.0429507
CONNECTIONS:
o EQ86 o EQ171
[ TS988 ] Animation C1 ENERGY= 726.7 kJ/mol
Energy+ZPE= 701.4 kJ/mol ZPE= 0.0399034
CONNECTIONS:
o EQ86 o EQ241
[ TS989 ] Animation C1 ENERGY= 820.7 kJ/mol
Energy+ZPE= 800.5 kJ/mol ZPE= 0.0418455
CONNECTIONS:
o EQ86 o EQ294
[ TS990 ] Animation C1 ENERGY= 760.9 kJ/mol
Energy+ZPE= 740.9 kJ/mol ZPE= 0.0419299
CONNECTIONS:
o EQ86 o EQ299
[ TS991 ] Animation C1 ENERGY= 1046.6 kJ/mol
Energy+ZPE= 1023.2 kJ/mol ZPE= 0.0406166
CONNECTIONS:
o EQ86 o EQ424
[ TS992 ] Animation C1 ENERGY= 1326.7 kJ/mol
Energy+ZPE= 1306.5 kJ/mol ZPE= 0.0418396
CONNECTIONS:
o EQ86 o EQ559
[ TS993 ] Animation C1 ENERGY= 1330.7 kJ/mol
Energy+ZPE= 1310.1 kJ/mol ZPE= 0.0417130
CONNECTIONS:
o EQ86 o EQ563
[ TS994 ] Animation C1 ENERGY= 550.3 kJ/mol
Energy+ZPE= 528.2 kJ/mol ZPE= 0.0411217
CONNECTIONS:
o EQ86 o DDC269
[ TS995 ] Animation C1 ENERGY= 577.1 kJ/mol
Energy+ZPE= 557.7 kJ/mol ZPE= 0.0421678
CONNECTIONS:
o EQ86 o DDC270
[ TS996 ] Animation C1 ENERGY= 578.3 kJ/mol
Energy+ZPE= 558.7 kJ/mol ZPE= 0.0420635
CONNECTIONS:
o EQ86 o DDC271
[ TS997 ] Animation C1 ENERGY= 728.3 kJ/mol
Energy+ZPE= 702.7 kJ/mol ZPE= 0.0397848
CONNECTIONS:
o EQ86 o DDC272
[ TS998 ] Animation C1 ENERGY= 1016.5 kJ/mol
Energy+ZPE= 996.6 kJ/mol ZPE= 0.0419608
CONNECTIONS:
o EQ86 o DDC273
[ TS999 ] Animation Cs ENERGY= 655.9 kJ/mol
Energy+ZPE= 642.6 kJ/mol ZPE= 0.0444639
CONNECTIONS:
o EQ87 o EQ87
[ TS1000 ] Animation C1 ENERGY= 508.9 kJ/mol
Energy+ZPE= 498.0 kJ/mol ZPE= 0.0454133
CONNECTIONS:
o EQ87 o EQ94
[ TS1001 ] Animation Cs ENERGY= 607.4 kJ/mol
Energy+ZPE= 584.8 kJ/mol ZPE= 0.0409362
CONNECTIONS:
o EQ87 o EQ95
[ TS1002 ] Animation C1 ENERGY= 532.9 kJ/mol
Energy+ZPE= 520.5 kJ/mol ZPE= 0.0448092
CONNECTIONS:
o EQ87 o EQ96
[ TS1003 ] Animation Cs ENERGY= 850.0 kJ/mol
Energy+ZPE= 822.7 kJ/mol ZPE= 0.0391632
CONNECTIONS:
o EQ87 o EQ252
[ TS1004 ] Animation C1 ENERGY= 975.1 kJ/mol
Energy+ZPE= 958.6 kJ/mol ZPE= 0.0432686
CONNECTIONS:
o EQ87 o EQ329
[ TS1005 ] Animation C1 ENERGY= 1357.1 kJ/mol
Energy+ZPE= 1331.7 kJ/mol ZPE= 0.0398847
CONNECTIONS:
o EQ87 o EQ562
[ TS1006 ] Animation C1 ENERGY= 1389.6 kJ/mol
Energy+ZPE= 1362.5 kJ/mol ZPE= 0.0392294
CONNECTIONS:
o EQ87 o EQ573
[ TS1007 ] Animation Cs ENERGY= 706.2 kJ/mol
Energy+ZPE= 687.2 kJ/mol ZPE= 0.0423067
CONNECTIONS:
o EQ87 o DDC274
[ TS1008 ] Animation C1 ENERGY= 870.0 kJ/mol
Energy+ZPE= 844.0 kJ/mol ZPE= 0.0396469
CONNECTIONS:
o EQ87 o DDC275
[ TS1009 ] Animation Cs ENERGY= 639.0 kJ/mol
Energy+ZPE= 624.7 kJ/mol ZPE= 0.0441129
CONNECTIONS:
o EQ88 o EQ98
[ TS1010 ] Animation C1 ENERGY= 647.0 kJ/mol
Energy+ZPE= 624.4 kJ/mol ZPE= 0.0409263
CONNECTIONS:
o EQ88 o EQ114
[ TS1011 ] Animation C1 ENERGY= 938.9 kJ/mol
Energy+ZPE= 913.1 kJ/mol ZPE= 0.0397283
CONNECTIONS:
o EQ88 o EQ386
[ TS1012 ] Animation C1 ENERGY= 902.9 kJ/mol
Energy+ZPE= 878.0 kJ/mol ZPE= 0.0400524
CONNECTIONS:
o EQ88 o DDC276
[ TS1013 ] Animation C1 ENERGY= 505.8 kJ/mol
Energy+ZPE= 492.2 kJ/mol ZPE= 0.0443766
CONNECTIONS:
o EQ89 o EQ93
[ TS1014 ] Animation C1 ENERGY= 523.8 kJ/mol
Energy+ZPE= 510.3 kJ/mol ZPE= 0.0444117
CONNECTIONS:
o EQ89 o EQ95
[ TS1015 ] Animation Cs ENERGY= 607.1 kJ/mol
Energy+ZPE= 584.5 kJ/mol ZPE= 0.0409454
CONNECTIONS:
o EQ89 o EQ96
[ TS1016 ] Animation C1 ENERGY= 546.5 kJ/mol
Energy+ZPE= 532.7 kJ/mol ZPE= 0.0442802
CONNECTIONS:
o EQ89 o EQ105
[ TS1017 ] Animation Cs ENERGY= 852.6 kJ/mol
Energy+ZPE= 823.8 kJ/mol ZPE= 0.0385907
CONNECTIONS:
o EQ89 o EQ256
[ TS1018 ] Animation Cs ENERGY= 615.8 kJ/mol
Energy+ZPE= 589.1 kJ/mol ZPE= 0.0393759
CONNECTIONS:
o EQ89 o DDC277
[ TS1019 ] Animation C1 ENERGY= 542.7 kJ/mol
Energy+ZPE= 529.1 kJ/mol ZPE= 0.0443517
CONNECTIONS:
o EQ90 o EQ99
[ TS1020 ] Animation C1 ENERGY= 585.8 kJ/mol
Energy+ZPE= 575.9 kJ/mol ZPE= 0.0457796
CONNECTIONS:
o EQ90 o EQ119
[ TS1021 ] Animation C1 ENERGY= 567.1 kJ/mol
Energy+ZPE= 553.4 kJ/mol ZPE= 0.0443247
CONNECTIONS:
o EQ90 o EQ122
[ TS1022 ] Animation C1 ENERGY= 1015.6 kJ/mol
Energy+ZPE= 995.7 kJ/mol ZPE= 0.0419551
CONNECTIONS:
o EQ90 o EQ133
[ TS1023 ] Animation C1 ENERGY= 1018.7 kJ/mol
Energy+ZPE= 996.7 kJ/mol ZPE= 0.0411610
CONNECTIONS:
o EQ90 o EQ361
[ TS1024 ] Animation C1 ENERGY= 1113.4 kJ/mol
Energy+ZPE= 1086.4 kJ/mol ZPE= 0.0392602
CONNECTIONS:
o EQ90 o EQ483
[ TS1025 ] Animation C1 ENERGY= 1136.1 kJ/mol
Energy+ZPE= 1106.3 kJ/mol ZPE= 0.0382014
CONNECTIONS:
o EQ90 o EQ495
[ TS1026 ] Animation C1 ENERGY= 848.3 kJ/mol
Energy+ZPE= 827.7 kJ/mol ZPE= 0.0417092
CONNECTIONS:
o EQ90 o DDC278
[ TS1027 ] Animation C1 ENERGY= 1016.7 kJ/mol
Energy+ZPE= 995.4 kJ/mol ZPE= 0.0414293
CONNECTIONS:
o EQ90 o DDC279
[ TS1028 ] Animation C1 ENERGY= 1129.2 kJ/mol
Energy+ZPE= 1097.0 kJ/mol ZPE= 0.0372883
CONNECTIONS:
o EQ90 o DDC280
[ TS1029 ] Animation Cs ENERGY= 501.8 kJ/mol
Energy+ZPE= 490.7 kJ/mol ZPE= 0.0453228
CONNECTIONS:
o EQ92 o EQ92
[ TS1030 ] Animation C1 ENERGY= 522.0 kJ/mol
Energy+ZPE= 510.1 kJ/mol ZPE= 0.0450123
CONNECTIONS:
o EQ92 o EQ94
[ TS1031 ] Animation C1 ENERGY= 519.7 kJ/mol
Energy+ZPE= 507.9 kJ/mol ZPE= 0.0450633
CONNECTIONS:
o EQ92 o EQ96
[ TS1032 ] Animation C1 ENERGY= 617.0 kJ/mol
Energy+ZPE= 593.1 kJ/mol ZPE= 0.0404351
CONNECTIONS:
o EQ92 o EQ105
[ TS1033 ] Animation C1 ENERGY= 848.2 kJ/mol
Energy+ZPE= 820.5 kJ/mol ZPE= 0.0390000
CONNECTIONS:
o EQ92 o EQ244
[ TS1034 ] Animation C1 ENERGY= 745.0 kJ/mol
Energy+ZPE= 722.4 kJ/mol ZPE= 0.0409229
CONNECTIONS:
o EQ92 o EQ276
[ TS1035 ] Animation C1 ENERGY= 1387.1 kJ/mol
Energy+ZPE= 1360.3 kJ/mol ZPE= 0.0393346
CONNECTIONS:
o EQ92 o EQ573
[ TS1036 ] Animation C1 ENERGY= 648.0 kJ/mol
Energy+ZPE= 620.1 kJ/mol ZPE= 0.0389178
CONNECTIONS:
o EQ92 o DDC281
[ TS1037 ] Animation C1 ENERGY= 1016.8 kJ/mol
Energy+ZPE= 979.0 kJ/mol ZPE= 0.0351566
CONNECTIONS:
o EQ92 o DDC282
[ TS1038 ] Animation C1 ENERGY= 531.9 kJ/mol
Energy+ZPE= 517.1 kJ/mol ZPE= 0.0438975
CONNECTIONS:
o EQ93 o EQ102
[ TS1039 ] Animation C1 ENERGY= 555.4 kJ/mol
Energy+ZPE= 540.3 kJ/mol ZPE= 0.0438086
CONNECTIONS:
o EQ93 o EQ115
[ TS1040 ] Animation C1 ENERGY= 815.0 kJ/mol
Energy+ZPE= 788.8 kJ/mol ZPE= 0.0395653
CONNECTIONS:
o EQ93 o EQ304
[ TS1041 ] Animation Cs ENERGY= 614.0 kJ/mol
Energy+ZPE= 587.0 kJ/mol ZPE= 0.0392814
CONNECTIONS:
o EQ93 o DDC283
[ TS1042 ] Animation Cs ENERGY= 1330.7 kJ/mol
Energy+ZPE= 1307.0 kJ/mol ZPE= 0.0405240
CONNECTIONS:
o EQ94 o EQ94
[ TS1043 ] Animation Cs ENERGY= 617.6 kJ/mol
Energy+ZPE= 594.2 kJ/mol ZPE= 0.0406471
CONNECTIONS:
o EQ94 o EQ106
[ TS1044 ] Animation C1 ENERGY= 996.3 kJ/mol
Energy+ZPE= 977.8 kJ/mol ZPE= 0.0425167
CONNECTIONS:
o EQ94 o EQ346
[ TS1045 ] Animation C1 ENERGY= 1055.9 kJ/mol
Energy+ZPE= 1037.9 kJ/mol ZPE= 0.0426787
CONNECTIONS:
o EQ94 o EQ404
[ TS1046 ] Animation C1 ENERGY= 1324.2 kJ/mol
Energy+ZPE= 1301.5 kJ/mol ZPE= 0.0409106
CONNECTIONS:
o EQ94 o EQ558
[ TS1047 ] Animation C1 ENERGY= 1362.6 kJ/mol
Energy+ZPE= 1337.4 kJ/mol ZPE= 0.0399658
CONNECTIONS:
o EQ94 o EQ562
[ TS1048 ] Animation C1 ENERGY= 1338.6 kJ/mol
Energy+ZPE= 1314.9 kJ/mol ZPE= 0.0405215
CONNECTIONS:
o EQ94 o EQ570
[ TS1049 ] Animation C1 ENERGY= 1415.8 kJ/mol
Energy+ZPE= 1389.0 kJ/mol ZPE= 0.0393272
CONNECTIONS:
o EQ94 o DDC284
[ TS1050 ] Animation Cs ENERGY= 630.4 kJ/mol
Energy+ZPE= 614.8 kJ/mol ZPE= 0.0435904
CONNECTIONS:
o EQ95 o EQ95
[ TS1051 ] Animation C1 ENERGY= 810.6 kJ/mol
Energy+ZPE= 782.8 kJ/mol ZPE= 0.0389405
CONNECTIONS:
o EQ95 o EQ95
[ TS1052 ] Animation C1 ENERGY= 518.9 kJ/mol
Energy+ZPE= 504.5 kJ/mol ZPE= 0.0440582
CONNECTIONS:
o EQ95 o EQ102
[ TS1053 ] Animation C1 ENERGY= 534.0 kJ/mol
Energy+ZPE= 520.9 kJ/mol ZPE= 0.0445457
CONNECTIONS:
o EQ95 o EQ106
[ TS1054 ] Animation Cs ENERGY= 724.7 kJ/mol
Energy+ZPE= 701.4 kJ/mol ZPE= 0.0406815
CONNECTIONS:
o EQ95 o EQ166
[ TS1055 ] Animation C1 ENERGY= 864.6 kJ/mol
Energy+ZPE= 834.9 kJ/mol ZPE= 0.0382511
CONNECTIONS:
o EQ95 o EQ275
[ TS1056 ] Animation C1 ENERGY= 785.6 kJ/mol
Energy+ZPE= 770.3 kJ/mol ZPE= 0.0437241
CONNECTIONS:
o EQ95 o EQ300
[ TS1057 ] Animation C1 ENERGY= 832.8 kJ/mol
Energy+ZPE= 813.0 kJ/mol ZPE= 0.0420061
CONNECTIONS:
o EQ95 o EQ306
[ TS1058 ] Animation C1 ENERGY= 738.5 kJ/mol
Energy+ZPE= 709.4 kJ/mol ZPE= 0.0384555
CONNECTIONS:
o EQ95 o DDC285
[ TS1059 ] Animation Cs ENERGY= 627.3 kJ/mol
Energy+ZPE= 611.9 kJ/mol ZPE= 0.0436822
CONNECTIONS:
o EQ96 o EQ97
[ TS1060 ] Animation C1 ENERGY= 900.6 kJ/mol
Energy+ZPE= 870.4 kJ/mol ZPE= 0.0380582
CONNECTIONS:
o EQ96 o EQ304
[ TS1061 ] Animation C1 ENERGY= 722.7 kJ/mol
Energy+ZPE= 705.7 kJ/mol ZPE= 0.0430783
CONNECTIONS:
o EQ97 o EQ147
[ TS1062 ] Animation C1 ENERGY= 910.1 kJ/mol
Energy+ZPE= 888.0 kJ/mol ZPE= 0.0411253
CONNECTIONS:
o EQ97 o DDC286
[ TS1063 ] Animation C1 ENERGY= 748.1 kJ/mol
Energy+ZPE= 731.4 kJ/mol ZPE= 0.0431787
CONNECTIONS:
o EQ98 o EQ122
[ TS1064 ] Animation C1 ENERGY= 1028.9 kJ/mol
Energy+ZPE= 1008.1 kJ/mol ZPE= 0.0416133
CONNECTIONS:
o EQ98 o EQ151
[ TS1065 ] Animation C1 ENERGY= 701.3 kJ/mol
Energy+ZPE= 689.1 kJ/mol ZPE= 0.0449028
CONNECTIONS:
o EQ98 o EQ227
[ TS1066 ] Animation C1 ENERGY= 919.6 kJ/mol
Energy+ZPE= 897.4 kJ/mol ZPE= 0.0410856
CONNECTIONS:
o EQ98 o EQ353
[ TS1067 ] Animation C1 ENERGY= 548.1 kJ/mol
Energy+ZPE= 535.6 kJ/mol ZPE= 0.0447818
CONNECTIONS:
o EQ99 o EQ113
[ TS1068 ] Animation C1 ENERGY= 588.3 kJ/mol
Energy+ZPE= 578.1 kJ/mol ZPE= 0.0456439
CONNECTIONS:
o EQ99 o EQ119
[ TS1069 ] Animation C1 ENERGY= 1070.6 kJ/mol
Energy+ZPE= 1045.8 kJ/mol ZPE= 0.0401186
CONNECTIONS:
o EQ99 o EQ151
[ TS1070 ] Animation C1 ENERGY= 1111.0 kJ/mol
Energy+ZPE= 1095.7 kJ/mol ZPE= 0.0437342
CONNECTIONS:
o EQ99 o EQ454
[ TS1071 ] Animation C1 ENERGY= 822.9 kJ/mol
Energy+ZPE= 797.1 kJ/mol ZPE= 0.0397166
CONNECTIONS:
o EQ99 o DDC287
[ TS1072 ] Animation C1 ENERGY= 838.8 kJ/mol
Energy+ZPE= 818.2 kJ/mol ZPE= 0.0416893
CONNECTIONS:
o EQ99 o DDC288
[ TS1073 ] Animation Cs ENERGY= 663.3 kJ/mol
Energy+ZPE= 637.3 kJ/mol ZPE= 0.0396259
CONNECTIONS:
o EQ100 o EQ100
[ TS1074 ] Animation C1 ENERGY= 521.1 kJ/mol
Energy+ZPE= 504.8 kJ/mol ZPE= 0.0433579
CONNECTIONS:
o EQ100 o EQ101
[ TS1075 ] Animation C1 ENERGY= 521.8 kJ/mol
Energy+ZPE= 505.4 kJ/mol ZPE= 0.0433173
CONNECTIONS:
o EQ100 o EQ101
[ TS1076 ] Animation C1 ENERGY= 554.8 kJ/mol
Energy+ZPE= 535.2 kJ/mol ZPE= 0.0420968
CONNECTIONS:
o EQ100 o EQ111
[ TS1077 ] Animation C1 ENERGY= 557.3 kJ/mol
Energy+ZPE= 537.4 kJ/mol ZPE= 0.0419543
CONNECTIONS:
o EQ100 o EQ111
[ TS1078 ] Animation C1 ENERGY= 691.4 kJ/mol
Energy+ZPE= 677.4 kJ/mol ZPE= 0.0442152
CONNECTIONS:
o EQ100 o EQ185
[ TS1079 ] Animation C1 ENERGY= 842.8 kJ/mol
Energy+ZPE= 823.1 kJ/mol ZPE= 0.0420454
CONNECTIONS:
o EQ100 o EQ190
[ TS1080 ] Animation C1 ENERGY= 701.6 kJ/mol
Energy+ZPE= 685.7 kJ/mol ZPE= 0.0434892
CONNECTIONS:
o EQ100 o EQ220
[ TS1081 ] Animation C1 ENERGY= 781.7 kJ/mol
Energy+ZPE= 762.5 kJ/mol ZPE= 0.0422317
CONNECTIONS:
o EQ100 o EQ282
[ TS1082 ] Animation C1 ENERGY= 868.9 kJ/mol
Energy+ZPE= 842.3 kJ/mol ZPE= 0.0394181
CONNECTIONS:
o EQ100 o EQ314
[ TS1083 ] Animation C1 ENERGY= 993.2 kJ/mol
Energy+ZPE= 972.3 kJ/mol ZPE= 0.0415695
CONNECTIONS:
o EQ100 o EQ439
[ TS1084 ] Animation C1 ENERGY= 1054.0 kJ/mol
Energy+ZPE= 1033.7 kJ/mol ZPE= 0.0418201
CONNECTIONS:
o EQ100 o EQ457
[ TS1085 ] Animation Cs ENERGY= 662.9 kJ/mol
Energy+ZPE= 638.6 kJ/mol ZPE= 0.0403015
CONNECTIONS:
o EQ101 o EQ101
[ TS1086 ] Animation C1 ENERGY= 559.4 kJ/mol
Energy+ZPE= 541.7 kJ/mol ZPE= 0.0427902
CONNECTIONS:
o EQ101 o EQ114
[ TS1087 ] Animation C1 ENERGY= 560.1 kJ/mol
Energy+ZPE= 542.0 kJ/mol ZPE= 0.0426579
CONNECTIONS:
o EQ101 o EQ114
[ TS1088 ] Animation C1 ENERGY= 826.8 kJ/mol
Energy+ZPE= 808.9 kJ/mol ZPE= 0.0427434
CONNECTIONS:
o EQ101 o EQ186
[ TS1089 ] Animation C1 ENERGY= 828.6 kJ/mol
Energy+ZPE= 810.0 kJ/mol ZPE= 0.0424461
CONNECTIONS:
o EQ101 o EQ186
[ TS1090 ] Animation C1 ENERGY= 689.6 kJ/mol
Energy+ZPE= 674.3 kJ/mol ZPE= 0.0437287
CONNECTIONS:
o EQ101 o EQ206
[ TS1091 ] Animation C1 ENERGY= 774.2 kJ/mol
Energy+ZPE= 756.2 kJ/mol ZPE= 0.0427001
CONNECTIONS:
o EQ101 o EQ253
[ TS1092 ] Animation Cs ENERGY= 722.7 kJ/mol
Energy+ZPE= 699.2 kJ/mol ZPE= 0.0406066
CONNECTIONS:
o EQ102 o EQ167
[ TS1093 ] Animation C1 ENERGY= 873.7 kJ/mol
Energy+ZPE= 842.7 kJ/mol ZPE= 0.0377491
CONNECTIONS:
o EQ102 o EQ283
[ TS1094 ] Animation Cs ENERGY= 533.9 kJ/mol
Energy+ZPE= 526.6 kJ/mol ZPE= 0.0467837
CONNECTIONS:
o EQ103 o EQ103
[ TS1095 ] Animation C1 ENERGY= 873.0 kJ/mol
Energy+ZPE= 846.2 kJ/mol ZPE= 0.0393208
CONNECTIONS:
o EQ103 o EQ162
[ TS1096 ] Animation C1 ENERGY= 820.6 kJ/mol
Energy+ZPE= 804.0 kJ/mol ZPE= 0.0432360
CONNECTIONS:
o EQ103 o EQ180
[ TS1097 ] Animation C1 ENERGY= 751.9 kJ/mol
Energy+ZPE= 737.0 kJ/mol ZPE= 0.0438828
CONNECTIONS:
o EQ103 o EQ271
[ TS1098 ] Animation C1 ENERGY= 894.4 kJ/mol
Energy+ZPE= 873.9 kJ/mol ZPE= 0.0417542
CONNECTIONS:
o EQ103 o EQ285
[ TS1099 ] Animation C1 ENERGY= 943.0 kJ/mol
Energy+ZPE= 923.9 kJ/mol ZPE= 0.0422649
CONNECTIONS:
o EQ103 o EQ285
[ TS1100 ] Animation C1 ENERGY= 1164.4 kJ/mol
Energy+ZPE= 1142.4 kJ/mol ZPE= 0.0411559
CONNECTIONS:
o EQ103 o EQ508
[ TS1101 ] Animation C1 ENERGY= 582.9 kJ/mol
Energy+ZPE= 572.7 kJ/mol ZPE= 0.0456714
CONNECTIONS:
o EQ103 o DDC289
[ TS1102 ] Animation Cs ENERGY= 675.4 kJ/mol
Energy+ZPE= 654.0 kJ/mol ZPE= 0.0414137
CONNECTIONS:
o EQ103 o DDC290
[ TS1103 ] Animation C1 ENERGY= 835.9 kJ/mol
Energy+ZPE= 815.5 kJ/mol ZPE= 0.0417618
CONNECTIONS:
o EQ103 o DDC291
[ TS1104 ] Animation C1 ENERGY= 854.1 kJ/mol
Energy+ZPE= 819.6 kJ/mol ZPE= 0.0364234
CONNECTIONS:
o EQ103 o DDC292
[ TS1105 ] Animation C1 ENERGY= 961.4 kJ/mol
Energy+ZPE= 938.1 kJ/mol ZPE= 0.0406553
CONNECTIONS:
o EQ103 o DDC293
[ TS1106 ] Animation C1 ENERGY= 532.9 kJ/mol
Energy+ZPE= 523.0 kJ/mol ZPE= 0.0457700
CONNECTIONS:
o EQ104 o EQ107
[ TS1107 ] Animation C1 ENERGY= 537.9 kJ/mol
Energy+ZPE= 528.1 kJ/mol ZPE= 0.0458173
CONNECTIONS:
o EQ104 o EQ107
[ TS1108 ] Animation C1 ENERGY= 814.0 kJ/mol
Energy+ZPE= 790.1 kJ/mol ZPE= 0.0404478
CONNECTIONS:
o EQ104 o EQ124
[ TS1109 ] Animation C1 ENERGY= 731.3 kJ/mol
Energy+ZPE= 709.7 kJ/mol ZPE= 0.0413155
CONNECTIONS:
o EQ104 o EQ170
[ TS1110 ] Animation C1 ENERGY= 696.9 kJ/mol
Energy+ZPE= 683.9 kJ/mol ZPE= 0.0446002
CONNECTIONS:
o EQ104 o EQ176
[ TS1111 ] Animation C1 ENERGY= 702.6 kJ/mol
Energy+ZPE= 689.8 kJ/mol ZPE= 0.0446665
CONNECTIONS:
o EQ104 o EQ176
[ TS1112 ] Animation C1 ENERGY= 607.8 kJ/mol
Energy+ZPE= 592.2 kJ/mol ZPE= 0.0436123
CONNECTIONS:
o EQ104 o DDC294
[ TS1113 ] Animation C1 ENERGY= 628.0 kJ/mol
Energy+ZPE= 611.9 kJ/mol ZPE= 0.0434124
CONNECTIONS:
o EQ104 o DDC295
[ TS1114 ] Animation C1 ENERGY= 652.5 kJ/mol
Energy+ZPE= 636.9 kJ/mol ZPE= 0.0436118
CONNECTIONS:
o EQ104 o DDC296
[ TS1115 ] Animation C1 ENERGY= 865.2 kJ/mol
Energy+ZPE= 837.8 kJ/mol ZPE= 0.0391295
CONNECTIONS:
o EQ104 o DDC297
[ TS1116 ] Animation Cs ENERGY= 521.3 kJ/mol
Energy+ZPE= 507.7 kJ/mol ZPE= 0.0443747
CONNECTIONS:
o EQ105 o EQ105
[ TS1117 ] Animation C1 ENERGY= 535.8 kJ/mol
Energy+ZPE= 520.5 kJ/mol ZPE= 0.0437259
CONNECTIONS:
o EQ105 o EQ105
[ TS1118 ] Animation C1 ENERGY= 530.0 kJ/mol
Energy+ZPE= 516.0 kJ/mol ZPE= 0.0442062
CONNECTIONS:
o EQ105 o EQ106
[ TS1119 ] Animation C1 ENERGY= 616.5 kJ/mol
Energy+ZPE= 598.7 kJ/mol ZPE= 0.0427848
CONNECTIONS:
o EQ105 o DDC298
[ TS1120 ] Animation C1 ENERGY= 618.8 kJ/mol
Energy+ZPE= 600.9 kJ/mol ZPE= 0.0427465
CONNECTIONS:
o EQ105 o DDC299
[ TS1121 ] Animation C1 ENERGY= 637.9 kJ/mol
Energy+ZPE= 618.3 kJ/mol ZPE= 0.0420658
CONNECTIONS:
o EQ105 o DDC300
[ TS1122 ] Animation C1 ENERGY= 644.6 kJ/mol
Energy+ZPE= 624.3 kJ/mol ZPE= 0.0418292
CONNECTIONS:
o EQ105 o DDC301
[ TS1123 ] Animation C1 ENERGY= 673.9 kJ/mol
Energy+ZPE= 645.1 kJ/mol ZPE= 0.0385700
CONNECTIONS:
o EQ105 o DDC302
[ TS1124 ] Animation C1 ENERGY= 714.7 kJ/mol
Energy+ZPE= 683.0 kJ/mol ZPE= 0.0374608
CONNECTIONS:
o EQ105 o DDC303
[ TS1125 ] Animation C1 ENERGY= 719.7 kJ/mol
Energy+ZPE= 692.8 kJ/mol ZPE= 0.0392986
CONNECTIONS:
o EQ105 o DDC304
[ TS1126 ] Animation C1 ENERGY= 742.6 kJ/mol
Energy+ZPE= 714.9 kJ/mol ZPE= 0.0390111
CONNECTIONS:
o EQ105 o DDC305
[ TS1127 ] Animation C1 ENERGY= 812.1 kJ/mol
Energy+ZPE= 782.8 kJ/mol ZPE= 0.0384050
CONNECTIONS:
o EQ105 o DDC306
[ TS1128 ] Animation C1 ENERGY= 534.1 kJ/mol
Energy+ZPE= 518.5 kJ/mol ZPE= 0.0435937
CONNECTIONS:
o EQ106 o EQ112
[ TS1129 ] Animation C1 ENERGY= 634.3 kJ/mol
Energy+ZPE= 617.5 kJ/mol ZPE= 0.0431378
CONNECTIONS:
o EQ106 o EQ112
[ TS1130 ] Animation C1 ENERGY= 685.4 kJ/mol
Energy+ZPE= 671.2 kJ/mol ZPE= 0.0441413
CONNECTIONS:
o EQ106 o EQ204
[ TS1131 ] Animation C1 ENERGY= 812.6 kJ/mol
Energy+ZPE= 789.6 kJ/mol ZPE= 0.0407944
CONNECTIONS:
o EQ107 o EQ140
[ TS1132 ] Animation C1 ENERGY= 739.6 kJ/mol
Energy+ZPE= 718.8 kJ/mol ZPE= 0.0416102
CONNECTIONS:
o EQ107 o EQ178
[ TS1133 ] Animation C1 ENERGY= 705.9 kJ/mol
Energy+ZPE= 693.2 kJ/mol ZPE= 0.0447175
CONNECTIONS:
o EQ107 o EQ183
[ TS1134 ] Animation C1 ENERGY= 708.5 kJ/mol
Energy+ZPE= 695.8 kJ/mol ZPE= 0.0446984
CONNECTIONS:
o EQ107 o EQ183
[ TS1135 ] Animation C1 ENERGY= 625.4 kJ/mol
Energy+ZPE= 609.3 kJ/mol ZPE= 0.0434314
CONNECTIONS:
o EQ107 o DDC307
[ TS1136 ] Animation C1 ENERGY= 641.2 kJ/mol
Energy+ZPE= 624.2 kJ/mol ZPE= 0.0430674
CONNECTIONS:
o EQ107 o DDC308
[ TS1137 ] Animation C1 ENERGY= 670.3 kJ/mol
Energy+ZPE= 653.9 kJ/mol ZPE= 0.0433000
CONNECTIONS:
o EQ107 o DDC309
[ TS1138 ] Animation C1 ENERGY= 693.3 kJ/mol
Energy+ZPE= 672.3 kJ/mol ZPE= 0.0415482
CONNECTIONS:
o EQ107 o DDC310
[ TS1139 ] Animation C1 ENERGY= 790.7 kJ/mol
Energy+ZPE= 772.7 kJ/mol ZPE= 0.0426970
CONNECTIONS:
o EQ107 o DDC311
[ TS1140 ] Animation C1 ENERGY= 527.6 kJ/mol
Energy+ZPE= 509.5 kJ/mol ZPE= 0.0426641
CONNECTIONS:
o EQ108 o EQ110
[ TS1141 ] Animation Cs ENERGY= 660.2 kJ/mol
Energy+ZPE= 643.8 kJ/mol ZPE= 0.0433063
CONNECTIONS:
o EQ109 o EQ122
[ TS1142 ] Animation C1 ENERGY= 916.5 kJ/mol
Energy+ZPE= 893.7 kJ/mol ZPE= 0.0408765
CONNECTIONS:
o EQ109 o EQ160
[ TS1143 ] Animation C1 ENERGY= 766.6 kJ/mol
Energy+ZPE= 747.6 kJ/mol ZPE= 0.0423187
CONNECTIONS:
o EQ109 o EQ168
[ TS1144 ] Animation Cs ENERGY= 871.9 kJ/mol
Energy+ZPE= 847.2 kJ/mol ZPE= 0.0401557
CONNECTIONS:
o EQ109 o EQ277
[ TS1145 ] Animation Cs ENERGY= 558.6 kJ/mol
Energy+ZPE= 542.0 kJ/mol ZPE= 0.0432175
CONNECTIONS:
o EQ111 o EQ111
[ TS1146 ] Animation C1 ENERGY= 537.2 kJ/mol
Energy+ZPE= 520.0 kJ/mol ZPE= 0.0429996
CONNECTIONS:
o EQ111 o EQ114
[ TS1147 ] Animation C1 ENERGY= 541.6 kJ/mol
Energy+ZPE= 524.1 kJ/mol ZPE= 0.0428883
CONNECTIONS:
o EQ111 o EQ114
[ TS1148 ] Animation C1 ENERGY= 702.8 kJ/mol
Energy+ZPE= 688.7 kJ/mol ZPE= 0.0441578
CONNECTIONS:
o EQ111 o EQ188
[ TS1149 ] Animation C1 ENERGY= 837.5 kJ/mol
Energy+ZPE= 818.4 kJ/mol ZPE= 0.0422693
CONNECTIONS:
o EQ111 o EQ198
[ TS1150 ] Animation C1 ENERGY= 713.3 kJ/mol
Energy+ZPE= 697.8 kJ/mol ZPE= 0.0436408
CONNECTIONS:
o EQ111 o EQ257
[ TS1151 ] Animation C1 ENERGY= 879.1 kJ/mol
Energy+ZPE= 852.4 kJ/mol ZPE= 0.0393638
CONNECTIONS:
o EQ111 o EQ312
[ TS1152 ] Animation C1 ENERGY= 918.6 kJ/mol
Energy+ZPE= 891.6 kJ/mol ZPE= 0.0392664
CONNECTIONS:
o EQ111 o EQ352
[ TS1153 ] Animation C1 ENERGY= 986.9 kJ/mol
Energy+ZPE= 967.4 kJ/mol ZPE= 0.0421306
CONNECTIONS:
o EQ111 o EQ432
[ TS1154 ] Animation C1 ENERGY= 991.4 kJ/mol
Energy+ZPE= 971.7 kJ/mol ZPE= 0.0420621
CONNECTIONS:
o EQ111 o EQ437
[ TS1155 ] Animation C1 ENERGY= 544.4 kJ/mol
Energy+ZPE= 525.7 kJ/mol ZPE= 0.0424112
CONNECTIONS:
o EQ111 o DDC312
[ TS1156 ] Animation C1 ENERGY= 847.4 kJ/mol
Energy+ZPE= 828.1 kJ/mol ZPE= 0.0422144
CONNECTIONS:
o EQ112 o EQ144
[ TS1157 ] Animation C1 ENERGY= 839.0 kJ/mol
Energy+ZPE= 811.2 kJ/mol ZPE= 0.0389729
CONNECTIONS:
o EQ112 o EQ306
[ TS1158 ] Animation C1 ENERGY= 1342.8 kJ/mol
Energy+ZPE= 1312.7 kJ/mol ZPE= 0.0380714
CONNECTIONS:
o EQ112 o EQ571
[ TS1159 ] Animation C1 ENERGY= 615.1 kJ/mol
Energy+ZPE= 599.2 kJ/mol ZPE= 0.0435077
CONNECTIONS:
o EQ112 o DDC313
[ TS1160 ] Animation C1 ENERGY= 647.8 kJ/mol
Energy+ZPE= 629.6 kJ/mol ZPE= 0.0426103
CONNECTIONS:
o EQ112 o DDC314
[ TS1161 ] Animation C1 ENERGY= 662.9 kJ/mol
Energy+ZPE= 644.4 kJ/mol ZPE= 0.0425112
CONNECTIONS:
o EQ112 o DDC315
[ TS1162 ] Animation C1 ENERGY= 723.9 kJ/mol
Energy+ZPE= 694.9 kJ/mol ZPE= 0.0385031
CONNECTIONS:
o EQ112 o DDC316
[ TS1163 ] Animation C1 ENERGY= 726.3 kJ/mol
Energy+ZPE= 697.2 kJ/mol ZPE= 0.0384667
CONNECTIONS:
o EQ112 o DDC317
[ TS1164 ] Animation C1 ENERGY= 733.9 kJ/mol
Energy+ZPE= 702.7 kJ/mol ZPE= 0.0376628
CONNECTIONS:
o EQ112 o DDC318
[ TS1165 ] Animation C1 ENERGY= 746.2 kJ/mol
Energy+ZPE= 728.9 kJ/mol ZPE= 0.0429455
CONNECTIONS:
o EQ112 o DDC319
[ TS1166 ] Animation C1 ENERGY= 1348.1 kJ/mol
Energy+ZPE= 1317.3 kJ/mol ZPE= 0.0378335
CONNECTIONS:
o EQ112 o DDC320
[ TS1167 ] Animation C1 ENERGY= 562.8 kJ/mol
Energy+ZPE= 548.5 kJ/mol ZPE= 0.0441054
CONNECTIONS:
o EQ113 o EQ122
[ TS1168 ] Animation C1 ENERGY= 822.4 kJ/mol
Energy+ZPE= 796.4 kJ/mol ZPE= 0.0396555
CONNECTIONS:
o EQ113 o EQ125
[ TS1169 ] Animation C1 ENERGY= 702.3 kJ/mol
Energy+ZPE= 688.6 kJ/mol ZPE= 0.0443331
CONNECTIONS:
o EQ113 o EQ202
[ TS1170 ] Animation C1 ENERGY= 700.7 kJ/mol
Energy+ZPE= 686.5 kJ/mol ZPE= 0.0441220
CONNECTIONS:
o EQ113 o EQ222
[ TS1171 ] Animation C1 ENERGY= 898.2 kJ/mol
Energy+ZPE= 871.0 kJ/mol ZPE= 0.0392042
CONNECTIONS:
o EQ113 o EQ294
[ TS1172 ] Animation C1 ENERGY= 811.9 kJ/mol
Energy+ZPE= 786.6 kJ/mol ZPE= 0.0399281
CONNECTIONS:
o EQ113 o DDC321
[ TS1173 ] Animation C1 ENERGY= 845.9 kJ/mol
Energy+ZPE= 822.4 kJ/mol ZPE= 0.0405822
CONNECTIONS:
o EQ113 o DDC322
[ TS1174 ] Animation C1 ENERGY= 858.4 kJ/mol
Energy+ZPE= 836.4 kJ/mol ZPE= 0.0411720
CONNECTIONS:
o EQ113 o DDC323
[ TS1175 ] Animation C1 ENERGY= 859.3 kJ/mol
Energy+ZPE= 837.6 kJ/mol ZPE= 0.0412676
CONNECTIONS:
o EQ113 o DDC324
[ TS1176 ] Animation C1 ENERGY= 871.3 kJ/mol
Energy+ZPE= 850.0 kJ/mol ZPE= 0.0414352
CONNECTIONS:
o EQ113 o DDC325
[ TS1177 ] Animation C1 ENERGY= 824.8 kJ/mol
Energy+ZPE= 807.2 kJ/mol ZPE= 0.0428587
CONNECTIONS:
o EQ114 o EQ186
[ TS1178 ] Animation C1 ENERGY= 827.9 kJ/mol
Energy+ZPE= 809.6 kJ/mol ZPE= 0.0425662
CONNECTIONS:
o EQ114 o EQ186
[ TS1179 ] Animation C1 ENERGY= 770.8 kJ/mol
Energy+ZPE= 754.4 kJ/mol ZPE= 0.0432870
CONNECTIONS:
o EQ114 o EQ256
[ TS1180 ] Animation C1 ENERGY= 923.5 kJ/mol
Energy+ZPE= 897.5 kJ/mol ZPE= 0.0396448
CONNECTIONS:
o EQ114 o EQ352
[ TS1181 ] Animation C1 ENERGY= 1032.4 kJ/mol
Energy+ZPE= 1014.2 kJ/mol ZPE= 0.0426134
CONNECTIONS:
o EQ114 o EQ453
[ TS1182 ] Animation C1 ENERGY= 702.3 kJ/mol
Energy+ZPE= 686.2 kJ/mol ZPE= 0.0434285
CONNECTIONS:
o EQ114 o DDC326
[ TS1183 ] Animation C1 ENERGY= 745.1 kJ/mol
Energy+ZPE= 717.1 kJ/mol ZPE= 0.0388980
CONNECTIONS:
o EQ115 o DDC327
[ TS1184 ] Animation Cs ENERGY= 761.4 kJ/mol
Energy+ZPE= 746.9 kJ/mol ZPE= 0.0440216
CONNECTIONS:
o EQ116 o EQ116
[ TS1185 ] Animation C1 ENERGY= 546.5 kJ/mol
Energy+ZPE= 537.2 kJ/mol ZPE= 0.0460211
CONNECTIONS:
o EQ116 o EQ117
[ TS1186 ] Animation C1 ENERGY= 547.8 kJ/mol
Energy+ZPE= 538.9 kJ/mol ZPE= 0.0461589
CONNECTIONS:
o EQ116 o EQ117
[ TS1187 ] Animation C1 ENERGY= 913.2 kJ/mol
Energy+ZPE= 893.7 kJ/mol ZPE= 0.0421120
CONNECTIONS:
o EQ116 o EQ123
[ TS1188 ] Animation C1 ENERGY= 869.8 kJ/mol
Energy+ZPE= 851.7 kJ/mol ZPE= 0.0426425
CONNECTIONS:
o EQ116 o EQ128
[ TS1189 ] Animation C1 ENERGY= 746.9 kJ/mol
Energy+ZPE= 733.3 kJ/mol ZPE= 0.0443585
CONNECTIONS:
o EQ116 o EQ170
[ TS1190 ] Animation C1 ENERGY= 755.9 kJ/mol
Energy+ZPE= 741.5 kJ/mol ZPE= 0.0440629
CONNECTIONS:
o EQ116 o EQ171
[ TS1191 ] Animation C1 ENERGY= 733.0 kJ/mol
Energy+ZPE= 719.3 kJ/mol ZPE= 0.0443408
CONNECTIONS:
o EQ116 o EQ174
[ TS1192 ] Animation C1 ENERGY= 743.4 kJ/mol
Energy+ZPE= 730.8 kJ/mol ZPE= 0.0447420
CONNECTIONS:
o EQ116 o EQ175
[ TS1193 ] Animation C1 ENERGY= 715.5 kJ/mol
Energy+ZPE= 704.4 kJ/mol ZPE= 0.0453073
CONNECTIONS:
o EQ116 o EQ181
[ TS1194 ] Animation C2 ENERGY= 708.0 kJ/mol
Energy+ZPE= 693.1 kJ/mol ZPE= 0.0438719
CONNECTIONS:
o EQ116 o EQ189
[ TS1195 ] Animation Cs ENERGY= 865.2 kJ/mol
Energy+ZPE= 849.6 kJ/mol ZPE= 0.0436174
CONNECTIONS:
o EQ116 o EQ267
[ TS1196 ] Animation C1 ENERGY= 755.5 kJ/mol
Energy+ZPE= 742.1 kJ/mol ZPE= 0.0444580
CONNECTIONS:
o EQ116 o EQ292
[ TS1197 ] Animation C1 ENERGY= 1136.8 kJ/mol
Energy+ZPE= 1113.8 kJ/mol ZPE= 0.0407893
CONNECTIONS:
o EQ116 o EQ453
[ TS1198 ] Animation C1 ENERGY= 1101.6 kJ/mol
Energy+ZPE= 1078.3 kJ/mol ZPE= 0.0406646
CONNECTIONS:
o EQ116 o EQ489
[ TS1199 ] Animation C2 ENERGY= 702.7 kJ/mol
Energy+ZPE= 691.2 kJ/mol ZPE= 0.0451484
CONNECTIONS:
o EQ116 o DDC328
[ TS1200 ] Animation C1 ENERGY= 737.6 kJ/mol
Energy+ZPE= 717.7 kJ/mol ZPE= 0.0419638
CONNECTIONS:
o EQ116 o DDC329
[ TS1201 ] Animation Cs ENERGY= 753.6 kJ/mol
Energy+ZPE= 741.0 kJ/mol ZPE= 0.0447547
CONNECTIONS:
o EQ117 o EQ117
[ TS1202 ] Animation C1 ENERGY= 910.7 kJ/mol
Energy+ZPE= 891.5 kJ/mol ZPE= 0.0422154
CONNECTIONS:
o EQ117 o EQ130
[ TS1203 ] Animation C1 ENERGY= 719.2 kJ/mol
Energy+ZPE= 707.5 kJ/mol ZPE= 0.0450948
CONNECTIONS:
o EQ117 o EQ177
[ TS1204 ] Animation C1 ENERGY= 749.1 kJ/mol
Energy+ZPE= 736.0 kJ/mol ZPE= 0.0445685
CONNECTIONS:
o EQ117 o EQ294
[ TS1205 ] Animation C1 ENERGY= 1138.9 kJ/mol
Energy+ZPE= 1115.1 kJ/mol ZPE= 0.0404865
CONNECTIONS:
o EQ117 o EQ452
[ TS1206 ] Animation C1 ENERGY= 1104.2 kJ/mol
Energy+ZPE= 1081.0 kJ/mol ZPE= 0.0406919
CONNECTIONS:
o EQ117 o EQ489
[ TS1207 ] Animation C1 ENERGY= 704.7 kJ/mol
Energy+ZPE= 691.5 kJ/mol ZPE= 0.0445111
CONNECTIONS:
o EQ117 o DDC330
[ TS1208 ] Animation C1 ENERGY= 630.3 kJ/mol
Energy+ZPE= 615.9 kJ/mol ZPE= 0.0440714
CONNECTIONS:
o EQ118 o EQ142
[ TS1209 ] Animation C1 ENERGY= 661.8 kJ/mol
Energy+ZPE= 649.4 kJ/mol ZPE= 0.0448363
CONNECTIONS:
o EQ118 o EQ176
[ TS1210 ] Animation C1 ENERGY= 779.5 kJ/mol
Energy+ZPE= 765.2 kJ/mol ZPE= 0.0440823
CONNECTIONS:
o EQ118 o EQ298
[ TS1211 ] Animation C1 ENERGY= 843.1 kJ/mol
Energy+ZPE= 818.7 kJ/mol ZPE= 0.0402353
CONNECTIONS:
o EQ118 o EQ325
[ TS1212 ] Animation C1 ENERGY= 1319.0 kJ/mol
Energy+ZPE= 1289.4 kJ/mol ZPE= 0.0382838
CONNECTIONS:
o EQ118 o EQ511
[ TS1213 ] Animation C1 ENERGY= 1203.0 kJ/mol
Energy+ZPE= 1183.6 kJ/mol ZPE= 0.0421466
CONNECTIONS:
o EQ118 o EQ531
[ TS1214 ] Animation C1 ENERGY= 698.7 kJ/mol
Energy+ZPE= 679.9 kJ/mol ZPE= 0.0424030
CONNECTIONS:
o EQ118 o DDC331
[ TS1215 ] Animation C1 ENERGY= 841.3 kJ/mol
Energy+ZPE= 816.4 kJ/mol ZPE= 0.0400795
CONNECTIONS:
o EQ118 o DDC332
[ TS1216 ] Animation C1 ENERGY= 556.0 kJ/mol
Energy+ZPE= 547.3 kJ/mol ZPE= 0.0462255
CONNECTIONS:
o EQ119 o EQ120
[ TS1217 ] Animation C1 ENERGY= 559.6 kJ/mol
Energy+ZPE= 551.2 kJ/mol ZPE= 0.0463518
CONNECTIONS:
o EQ119 o EQ120
[ TS1218 ] Animation C1 ENERGY= 744.9 kJ/mol
Energy+ZPE= 723.6 kJ/mol ZPE= 0.0414284
CONNECTIONS:
o EQ119 o DDC333
[ TS1219 ] Animation C1 ENERGY= 746.2 kJ/mol
Energy+ZPE= 725.2 kJ/mol ZPE= 0.0415520
CONNECTIONS:
o EQ120 o DDC334
[ TS1220 ] Animation C2v ENERGY= 548.5 kJ/mol
Energy+ZPE= 532.4 kJ/mol ZPE= 0.0434207
CONNECTIONS:
o EQ121 o EQ121
[ TS1221 ] Animation C1 ENERGY= 896.8 kJ/mol
Energy+ZPE= 870.3 kJ/mol ZPE= 0.0394434
CONNECTIONS:
o EQ122 o EQ292
[ TS1222 ] Animation C1 ENERGY= 841.3 kJ/mol
Energy+ZPE= 820.0 kJ/mol ZPE= 0.0414216
CONNECTIONS:
o EQ122 o EQ315
[ TS1223 ] Animation Cs ENERGY= 752.6 kJ/mol
Energy+ZPE= 716.7 kJ/mol ZPE= 0.0358721
CONNECTIONS:
o EQ122 o DDC335
[ TS1224 ] Animation C1 ENERGY= 864.6 kJ/mol
Energy+ZPE= 840.7 kJ/mol ZPE= 0.0404393
CONNECTIONS:
o EQ122 o DDC336
[ TS1225 ] Animation C1 ENERGY= 961.6 kJ/mol
Energy+ZPE= 931.5 kJ/mol ZPE= 0.0380898
CONNECTIONS:
o EQ122 o DDC337
[ TS1226 ] Animation Cs ENERGY= 660.2 kJ/mol
Energy+ZPE= 649.4 kJ/mol ZPE= 0.0454479
CONNECTIONS:
o EQ123 o EQ123
[ TS1227 ] Animation C1 ENERGY= 568.4 kJ/mol
Energy+ZPE= 555.4 kJ/mol ZPE= 0.0445984
CONNECTIONS:
o EQ123 o EQ130
[ TS1228 ] Animation C1 ENERGY= 569.6 kJ/mol
Energy+ZPE= 556.5 kJ/mol ZPE= 0.0445752
CONNECTIONS:
o EQ123 o EQ130
[ TS1229 ] Animation C1 ENERGY= 673.2 kJ/mol
Energy+ZPE= 653.3 kJ/mol ZPE= 0.0419731
CONNECTIONS:
o EQ123 o EQ188
[ TS1230 ] Animation C1 ENERGY= 776.3 kJ/mol
Energy+ZPE= 758.9 kJ/mol ZPE= 0.0429220
CONNECTIONS:
o EQ123 o EQ281
[ TS1231 ] Animation C2 ENERGY= 580.0 kJ/mol
Energy+ZPE= 564.1 kJ/mol ZPE= 0.0434984
CONNECTIONS:
o EQ123 o DDC338
[ TS1232 ] Animation C2 ENERGY= 587.3 kJ/mol
Energy+ZPE= 569.7 kJ/mol ZPE= 0.0428432
CONNECTIONS:
o EQ123 o DDC339
[ TS1233 ] Animation C1 ENERGY= 731.9 kJ/mol
Energy+ZPE= 717.5 kJ/mol ZPE= 0.0440512
CONNECTIONS:
o EQ123 o DDC340
[ TS1234 ] Animation C1 ENERGY= 749.5 kJ/mol
Energy+ZPE= 734.6 kJ/mol ZPE= 0.0438855
CONNECTIONS:
o EQ123 o DDC341
[ TS1235 ] Animation C1 ENERGY= 771.7 kJ/mol
Energy+ZPE= 747.2 kJ/mol ZPE= 0.0402301
CONNECTIONS:
o EQ123 o DDC342
[ TS1236 ] Animation C1 ENERGY= 639.8 kJ/mol
Energy+ZPE= 625.0 kJ/mol ZPE= 0.0438930
CONNECTIONS:
o EQ124 o EQ127
[ TS1237 ] Animation C1 ENERGY= 577.1 kJ/mol
Energy+ZPE= 566.8 kJ/mol ZPE= 0.0456182
CONNECTIONS:
o EQ124 o EQ138
[ TS1238 ] Animation C1 ENERGY= 628.2 kJ/mol
Energy+ZPE= 615.9 kJ/mol ZPE= 0.0448530
CONNECTIONS:
o EQ124 o EQ149
[ TS1239 ] Animation C1 ENERGY= 759.5 kJ/mol
Energy+ZPE= 744.0 kJ/mol ZPE= 0.0436379
CONNECTIONS:
o EQ124 o EQ199
[ TS1240 ] Animation C1 ENERGY= 728.8 kJ/mol
Energy+ZPE= 713.4 kJ/mol ZPE= 0.0436766
CONNECTIONS:
o EQ124 o EQ214
[ TS1241 ] Animation C1 ENERGY= 695.3 kJ/mol
Energy+ZPE= 669.8 kJ/mol ZPE= 0.0398515
CONNECTIONS:
o EQ124 o DDC343
[ TS1242 ] Animation Cs ENERGY= 735.7 kJ/mol
Energy+ZPE= 710.2 kJ/mol ZPE= 0.0398520
CONNECTIONS:
o EQ124 o DDC344
[ TS1243 ] Animation C1 ENERGY= 660.2 kJ/mol
Energy+ZPE= 638.7 kJ/mol ZPE= 0.0413398
CONNECTIONS:
o EQ125 o EQ169
[ TS1244 ] Animation C1 ENERGY= 886.9 kJ/mol
Energy+ZPE= 872.2 kJ/mol ZPE= 0.0439536
CONNECTIONS:
o EQ125 o EQ330
[ TS1245 ] Animation C1 ENERGY= 633.3 kJ/mol
Energy+ZPE= 607.8 kJ/mol ZPE= 0.0398326
CONNECTIONS:
o EQ125 o DDC345
[ TS1246 ] Animation C1 ENERGY= 678.5 kJ/mol
Energy+ZPE= 657.5 kJ/mol ZPE= 0.0415562
CONNECTIONS:
o EQ125 o DDC346
[ TS1247 ] Animation C1 ENERGY= 569.8 kJ/mol
Energy+ZPE= 539.8 kJ/mol ZPE= 0.0381022
CONNECTIONS:
o EQ126 o DDC347
[ TS1248 ] Animation C1 ENERGY= 576.2 kJ/mol
Energy+ZPE= 567.8 kJ/mol ZPE= 0.0463372
CONNECTIONS:
o EQ127 o EQ137
[ TS1249 ] Animation C1 ENERGY= 628.9 kJ/mol
Energy+ZPE= 618.2 kJ/mol ZPE= 0.0454621
CONNECTIONS:
o EQ127 o EQ140
[ TS1250 ] Animation C1 ENERGY= 762.4 kJ/mol
Energy+ZPE= 748.6 kJ/mol ZPE= 0.0442727
CONNECTIONS:
o EQ127 o EQ207
[ TS1251 ] Animation C1 ENERGY= 727.8 kJ/mol
Energy+ZPE= 714.3 kJ/mol ZPE= 0.0444009
CONNECTIONS:
o EQ127 o EQ209
[ TS1252 ] Animation C1 ENERGY= 1312.8 kJ/mol
Energy+ZPE= 1286.8 kJ/mol ZPE= 0.0396615
CONNECTIONS:
o EQ127 o EQ522
[ TS1253 ] Animation C1 ENERGY= 684.1 kJ/mol
Energy+ZPE= 663.8 kJ/mol ZPE= 0.0418238
CONNECTIONS:
o EQ128 o EQ129
[ TS1254 ] Animation C1 ENERGY= 573.0 kJ/mol
Energy+ZPE= 560.2 kJ/mol ZPE= 0.0446714
CONNECTIONS:
o EQ128 o EQ131
[ TS1255 ] Animation C1 ENERGY= 738.7 kJ/mol
Energy+ZPE= 715.4 kJ/mol ZPE= 0.0406748
CONNECTIONS:
o EQ128 o EQ131
[ TS1256 ] Animation C1 ENERGY= 625.3 kJ/mol
Energy+ZPE= 611.3 kJ/mol ZPE= 0.0442089
CONNECTIONS:
o EQ128 o EQ132
[ TS1257 ] Animation C1 ENERGY= 629.6 kJ/mol
Energy+ZPE= 615.0 kJ/mol ZPE= 0.0439849
CONNECTIONS:
o EQ128 o EQ132
[ TS1258 ] Animation C1 ENERGY= 582.1 kJ/mol
Energy+ZPE= 569.6 kJ/mol ZPE= 0.0447896
CONNECTIONS:
o EQ128 o EQ141
[ TS1259 ] Animation C1 ENERGY= 825.0 kJ/mol
Energy+ZPE= 800.4 kJ/mol ZPE= 0.0401871
CONNECTIONS:
o EQ128 o EQ174
[ TS1260 ] Animation C1 ENERGY= 763.9 kJ/mol
Energy+ZPE= 749.2 kJ/mol ZPE= 0.0439651
CONNECTIONS:
o EQ128 o EQ303
[ TS1261 ] Animation Cs ENERGY= 607.9 kJ/mol
Energy+ZPE= 582.1 kJ/mol ZPE= 0.0397016
CONNECTIONS:
o EQ128 o DDC348
[ TS1262 ] Animation C1 ENERGY= 1089.8 kJ/mol
Energy+ZPE= 1065.4 kJ/mol ZPE= 0.0402592
CONNECTIONS:
o EQ128 o DDC349
[ TS1263 ] Animation Cs ENERGY= 576.5 kJ/mol
Energy+ZPE= 566.9 kJ/mol ZPE= 0.0458887
CONNECTIONS:
o EQ129 o EQ129
[ TS1264 ] Animation Cs ENERGY= 579.3 kJ/mol
Energy+ZPE= 568.9 kJ/mol ZPE= 0.0455766
CONNECTIONS:
o EQ129 o EQ129
[ TS1265 ] Animation C1 ENERGY= 581.9 kJ/mol
Energy+ZPE= 569.2 kJ/mol ZPE= 0.0447069
CONNECTIONS:
o EQ129 o EQ129
[ TS1266 ] Animation C1 ENERGY= 733.6 kJ/mol
Energy+ZPE= 712.3 kJ/mol ZPE= 0.0414446
CONNECTIONS:
o EQ129 o EQ129
[ TS1267 ] Animation C1 ENERGY= 618.9 kJ/mol
Energy+ZPE= 605.7 kJ/mol ZPE= 0.0445266
CONNECTIONS:
o EQ129 o EQ134
[ TS1268 ] Animation C1 ENERGY= 620.2 kJ/mol
Energy+ZPE= 606.9 kJ/mol ZPE= 0.0444946
CONNECTIONS:
o EQ129 o EQ134
[ TS1269 ] Animation C1 ENERGY= 688.9 kJ/mol
Energy+ZPE= 668.1 kJ/mol ZPE= 0.0416197
CONNECTIONS:
o EQ129 o EQ141
[ TS1270 ] Animation C1 ENERGY= 691.1 kJ/mol
Energy+ZPE= 675.8 kJ/mol ZPE= 0.0437214
CONNECTIONS:
o EQ129 o EQ141
[ TS1271 ] Animation C1 ENERGY= 769.9 kJ/mol
Energy+ZPE= 755.2 kJ/mol ZPE= 0.0439566
CONNECTIONS:
o EQ129 o EQ175
[ TS1272 ] Animation C1 ENERGY= 775.2 kJ/mol
Energy+ZPE= 760.8 kJ/mol ZPE= 0.0440575
CONNECTIONS:
o EQ129 o EQ177
[ TS1273 ] Animation C1 ENERGY= 846.0 kJ/mol
Energy+ZPE= 826.9 kJ/mol ZPE= 0.0422896
CONNECTIONS:
o EQ129 o EQ186
[ TS1274 ] Animation C1 ENERGY= 856.2 kJ/mol
Energy+ZPE= 836.6 kJ/mol ZPE= 0.0420885
CONNECTIONS:
o EQ129 o EQ186
[ TS1275 ] Animation C1 ENERGY= 848.4 kJ/mol
Energy+ZPE= 829.2 kJ/mol ZPE= 0.0422239
CONNECTIONS:
o EQ129 o EQ190
[ TS1276 ] Animation C1 ENERGY= 743.2 kJ/mol
Energy+ZPE= 721.2 kJ/mol ZPE= 0.0411571
CONNECTIONS:
o EQ129 o EQ197
[ TS1277 ] Animation C1 ENERGY= 1034.6 kJ/mol
Energy+ZPE= 1013.9 kJ/mol ZPE= 0.0416545
CONNECTIONS:
o EQ129 o EQ263
[ TS1278 ] Animation C1 ENERGY= 750.8 kJ/mol
Energy+ZPE= 737.5 kJ/mol ZPE= 0.0444641
CONNECTIONS:
o EQ129 o EQ267
[ TS1279 ] Animation C1 ENERGY= 754.5 kJ/mol
Energy+ZPE= 740.6 kJ/mol ZPE= 0.0442568
CONNECTIONS:
o EQ129 o EQ277
[ TS1280 ] Animation C1 ENERGY= 947.9 kJ/mol
Energy+ZPE= 928.8 kJ/mol ZPE= 0.0422566
CONNECTIONS:
o EQ129 o EQ313
[ TS1281 ] Animation C1 ENERGY= 835.4 kJ/mol
Energy+ZPE= 819.1 kJ/mol ZPE= 0.0433431
CONNECTIONS:
o EQ129 o EQ339
[ TS1282 ] Animation C1 ENERGY= 1083.6 kJ/mol
Energy+ZPE= 1062.9 kJ/mol ZPE= 0.0416534
CONNECTIONS:
o EQ129 o EQ472
[ TS1283 ] Animation C1 ENERGY= 1083.5 kJ/mol
Energy+ZPE= 1062.7 kJ/mol ZPE= 0.0416155
CONNECTIONS:
o EQ129 o EQ476
[ TS1284 ] Animation C1 ENERGY= 1140.5 kJ/mol
Energy+ZPE= 1116.3 kJ/mol ZPE= 0.0403476
CONNECTIONS:
o EQ129 o EQ491
[ TS1285 ] Animation C1 ENERGY= 752.0 kJ/mol
Energy+ZPE= 728.5 kJ/mol ZPE= 0.0406007
CONNECTIONS:
o EQ129 o DDC350
[ TS1286 ] Animation C1 ENERGY= 1075.5 kJ/mol
Energy+ZPE= 1053.4 kJ/mol ZPE= 0.0411467
CONNECTIONS:
o EQ129 o DDC351
[ TS1287 ] Animation C1 ENERGY= 1079.4 kJ/mol
Energy+ZPE= 1054.3 kJ/mol ZPE= 0.0399732
CONNECTIONS:
o EQ129 o DDC352
[ TS1288 ] Animation Cs ENERGY= 569.2 kJ/mol
Energy+ZPE= 556.3 kJ/mol ZPE= 0.0446314
CONNECTIONS:
o EQ130 o EQ130
[ TS1289 ] Animation Cs ENERGY= 690.8 kJ/mol
Energy+ZPE= 678.4 kJ/mol ZPE= 0.0448203
CONNECTIONS:
o EQ130 o EQ130
[ TS1290 ] Animation C1 ENERGY= 857.0 kJ/mol
Energy+ZPE= 836.5 kJ/mol ZPE= 0.0417579
CONNECTIONS:
o EQ130 o EQ171
[ TS1291 ] Animation C1 ENERGY= 1038.2 kJ/mol
Energy+ZPE= 1016.1 kJ/mol ZPE= 0.0411249
CONNECTIONS:
o EQ130 o EQ178
[ TS1292 ] Animation C1 ENERGY= 679.8 kJ/mol
Energy+ZPE= 659.1 kJ/mol ZPE= 0.0416530
CONNECTIONS:
o EQ130 o EQ185
[ TS1293 ] Animation C1 ENERGY= 783.9 kJ/mol
Energy+ZPE= 764.5 kJ/mol ZPE= 0.0421611
CONNECTIONS:
o EQ130 o EQ260
[ TS1294 ] Animation C1 ENERGY= 739.2 kJ/mol
Energy+ZPE= 724.2 kJ/mol ZPE= 0.0438282
CONNECTIONS:
o EQ130 o DDC353
[ TS1295 ] Animation C1 ENERGY= 740.6 kJ/mol
Energy+ZPE= 725.0 kJ/mol ZPE= 0.0435926
CONNECTIONS:
o EQ130 o DDC354
[ TS1296 ] Animation C1 ENERGY= 773.6 kJ/mol
Energy+ZPE= 748.7 kJ/mol ZPE= 0.0400695
CONNECTIONS:
o EQ130 o DDC355
[ TS1297 ] Animation C1 ENERGY= 746.6 kJ/mol
Energy+ZPE= 722.8 kJ/mol ZPE= 0.0404869
CONNECTIONS:
o EQ131 o EQ195
[ TS1298 ] Animation Cs ENERGY= 604.6 kJ/mol
Energy+ZPE= 578.6 kJ/mol ZPE= 0.0396375
CONNECTIONS:
o EQ131 o DDC356
[ TS1299 ] Animation C1 ENERGY= 614.4 kJ/mol
Energy+ZPE= 601.3 kJ/mol ZPE= 0.0445567
CONNECTIONS:
o EQ132 o EQ132
[ TS1300 ] Animation C1 ENERGY= 683.6 kJ/mol
Energy+ZPE= 665.2 kJ/mol ZPE= 0.0425529
CONNECTIONS:
o EQ132 o EQ134
[ TS1301 ] Animation C1 ENERGY= 683.6 kJ/mol
Energy+ZPE= 665.5 kJ/mol ZPE= 0.0426400
CONNECTIONS:
o EQ132 o EQ134
[ TS1302 ] Animation C1 ENERGY= 664.6 kJ/mol
Energy+ZPE= 654.1 kJ/mol ZPE= 0.0455586
CONNECTIONS:
o EQ132 o EQ139
[ TS1303 ] Animation C1 ENERGY= 632.6 kJ/mol
Energy+ZPE= 617.8 kJ/mol ZPE= 0.0438991
CONNECTIONS:
o EQ132 o EQ141
[ TS1304 ] Animation C1 ENERGY= 586.7 kJ/mol
Energy+ZPE= 573.3 kJ/mol ZPE= 0.0444430
CONNECTIONS:
o EQ132 o EQ146
[ TS1305 ] Animation C1 ENERGY= 913.6 kJ/mol
Energy+ZPE= 894.8 kJ/mol ZPE= 0.0423891
CONNECTIONS:
o EQ132 o EQ206
[ TS1306 ] Animation C1 ENERGY= 782.5 kJ/mol
Energy+ZPE= 761.7 kJ/mol ZPE= 0.0416380
CONNECTIONS:
o EQ132 o EQ253
[ TS1307 ] Animation C1 ENERGY= 782.2 kJ/mol
Energy+ZPE= 761.0 kJ/mol ZPE= 0.0414554
CONNECTIONS:
o EQ132 o EQ265
[ TS1308 ] Animation C1 ENERGY= 833.1 kJ/mol
Energy+ZPE= 818.6 kJ/mol ZPE= 0.0440279
CONNECTIONS:
o EQ132 o EQ325
[ TS1309 ] Animation C1 ENERGY= 834.3 kJ/mol
Energy+ZPE= 816.0 kJ/mol ZPE= 0.0425931
CONNECTIONS:
o EQ132 o EQ327
[ TS1310 ] Animation Cs ENERGY= 614.3 kJ/mol
Energy+ZPE= 591.4 kJ/mol ZPE= 0.0408161
CONNECTIONS:
o EQ132 o DDC357
[ TS1311 ] Animation C1 ENERGY= 717.9 kJ/mol
Energy+ZPE= 691.5 kJ/mol ZPE= 0.0394893
CONNECTIONS:
o EQ132 o DDC358
[ TS1312 ] Animation C1 ENERGY= 739.8 kJ/mol
Energy+ZPE= 727.3 kJ/mol ZPE= 0.0447809
CONNECTIONS:
o EQ132 o DDC359
[ TS1313 ] Animation C1 ENERGY= 768.7 kJ/mol
Energy+ZPE= 743.1 kJ/mol ZPE= 0.0397812
CONNECTIONS:
o EQ132 o DDC360
[ TS1314 ] Animation C1 ENERGY= 787.1 kJ/mol
Energy+ZPE= 770.7 kJ/mol ZPE= 0.0432872
CONNECTIONS:
o EQ132 o DDC361
[ TS1315 ] Animation Cs ENERGY= 635.3 kJ/mol
Energy+ZPE= 613.7 kJ/mol ZPE= 0.0413018
CONNECTIONS:
o EQ133 o EQ150
[ TS1316 ] Animation C1 ENERGY= 645.6 kJ/mol
Energy+ZPE= 630.3 kJ/mol ZPE= 0.0437254
CONNECTIONS:
o EQ133 o EQ151
[ TS1317 ] Animation C1 ENERGY= 1032.1 kJ/mol
Energy+ZPE= 1009.4 kJ/mol ZPE= 0.0408898
CONNECTIONS:
o EQ133 o EQ151
[ TS1318 ] Animation C1 ENERGY= 649.9 kJ/mol
Energy+ZPE= 639.1 kJ/mol ZPE= 0.0454510
CONNECTIONS:
o EQ133 o EQ176
[ TS1319 ] Animation Cs ENERGY= 809.0 kJ/mol
Energy+ZPE= 786.6 kJ/mol ZPE= 0.0410266
CONNECTIONS:
o EQ133 o EQ278
[ TS1320 ] Animation C1 ENERGY= 1047.5 kJ/mol
Energy+ZPE= 1021.8 kJ/mol ZPE= 0.0397700
CONNECTIONS:
o EQ133 o EQ285
[ TS1321 ] Animation C1 ENERGY= 778.0 kJ/mol
Energy+ZPE= 763.4 kJ/mol ZPE= 0.0439888
CONNECTIONS:
o EQ133 o EQ298
[ TS1322 ] Animation C1 ENERGY= 680.7 kJ/mol
Energy+ZPE= 663.5 kJ/mol ZPE= 0.0429809
CONNECTIONS:
o EQ133 o DDC362
[ TS1323 ] Animation C1 ENERGY= 848.5 kJ/mol
Energy+ZPE= 821.6 kJ/mol ZPE= 0.0393201
CONNECTIONS:
o EQ133 o DDC363
[ TS1324 ] Animation Cs ENERGY= 598.2 kJ/mol
Energy+ZPE= 587.5 kJ/mol ZPE= 0.0454665
CONNECTIONS:
o EQ134 o EQ134
[ TS1325 ] Animation C1 ENERGY= 582.4 kJ/mol
Energy+ZPE= 570.2 kJ/mol ZPE= 0.0448919
CONNECTIONS:
o EQ134 o EQ139
[ TS1326 ] Animation C1 ENERGY= 612.3 kJ/mol
Energy+ZPE= 599.1 kJ/mol ZPE= 0.0445256
CONNECTIONS:
o EQ134 o EQ139
[ TS1327 ] Animation C1 ENERGY= 628.1 kJ/mol
Energy+ZPE= 614.8 kJ/mol ZPE= 0.0444856
CONNECTIONS:
o EQ134 o EQ139
[ TS1328 ] Animation C1 ENERGY= 672.9 kJ/mol
Energy+ZPE= 661.8 kJ/mol ZPE= 0.0453291
CONNECTIONS:
o EQ134 o EQ146
[ TS1329 ] Animation C1 ENERGY= 1079.1 kJ/mol
Energy+ZPE= 1057.1 kJ/mol ZPE= 0.0411852
CONNECTIONS:
o EQ134 o EQ172
[ TS1330 ] Animation C1 ENERGY= 901.6 kJ/mol
Energy+ZPE= 883.8 kJ/mol ZPE= 0.0427804
CONNECTIONS:
o EQ134 o EQ206
[ TS1331 ] Animation C1 ENERGY= 852.5 kJ/mol
Energy+ZPE= 833.5 kJ/mol ZPE= 0.0423071
CONNECTIONS:
o EQ134 o EQ216
[ TS1332 ] Animation C1 ENERGY= 859.5 kJ/mol
Energy+ZPE= 840.4 kJ/mol ZPE= 0.0422625
CONNECTIONS:
o EQ134 o EQ235
[ TS1333 ] Animation C1 ENERGY= 779.1 kJ/mol
Energy+ZPE= 760.1 kJ/mol ZPE= 0.0423113
CONNECTIONS:
o EQ134 o EQ256
[ TS1334 ] Animation C1 ENERGY= 768.9 kJ/mol
Energy+ZPE= 753.1 kJ/mol ZPE= 0.0435461
CONNECTIONS:
o EQ134 o EQ299
[ TS1335 ] Animation C1 ENERGY= 1050.9 kJ/mol
Energy+ZPE= 1030.0 kJ/mol ZPE= 0.0415853
CONNECTIONS:
o EQ134 o EQ314
[ TS1336 ] Animation C1 ENERGY= 822.1 kJ/mol
Energy+ZPE= 804.9 kJ/mol ZPE= 0.0429906
CONNECTIONS:
o EQ134 o EQ326
[ TS1337 ] Animation C1 ENERGY= 849.3 kJ/mol
Energy+ZPE= 834.5 kJ/mol ZPE= 0.0438936
CONNECTIONS:
o EQ134 o EQ345
[ TS1338 ] Animation C1 ENERGY= 1086.0 kJ/mol
Energy+ZPE= 1065.1 kJ/mol ZPE= 0.0415827
CONNECTIONS:
o EQ134 o EQ475
[ TS1339 ] Animation C1 ENERGY= 1149.5 kJ/mol
Energy+ZPE= 1124.4 kJ/mol ZPE= 0.0399721
CONNECTIONS:
o EQ134 o EQ480
[ TS1340 ] Animation C1 ENERGY= 762.0 kJ/mol
Energy+ZPE= 746.5 kJ/mol ZPE= 0.0436429
CONNECTIONS:
o EQ134 o DDC364
[ TS1341 ] Animation C1 ENERGY= 763.3 kJ/mol
Energy+ZPE= 738.9 kJ/mol ZPE= 0.0402702
CONNECTIONS:
o EQ134 o DDC365
[ TS1342 ] Animation C1 ENERGY= 784.3 kJ/mol
Energy+ZPE= 768.4 kJ/mol ZPE= 0.0434852
CONNECTIONS:
o EQ134 o DDC366
[ TS1343 ] Animation C1 ENERGY= 840.7 kJ/mol
Energy+ZPE= 824.3 kJ/mol ZPE= 0.0433000
CONNECTIONS:
o EQ134 o DDC367
[ TS1344 ] Animation C1 ENERGY= 1059.3 kJ/mol
Energy+ZPE= 1036.2 kJ/mol ZPE= 0.0407510
CONNECTIONS:
o EQ134 o DDC368
[ TS1345 ] Animation Cs ENERGY= 581.6 kJ/mol
Energy+ZPE= 560.5 kJ/mol ZPE= 0.0415087
CONNECTIONS:
o EQ135 o EQ135
[ TS1346 ] Animation C1 ENERGY= 905.7 kJ/mol
Energy+ZPE= 869.4 kJ/mol ZPE= 0.0357036
CONNECTIONS:
o EQ135 o EQ290
[ TS1347 ] Animation C1 ENERGY= 580.3 kJ/mol
Energy+ZPE= 560.5 kJ/mol ZPE= 0.0420196
CONNECTIONS:
o EQ135 o DDC369
[ TS1348 ] Animation C1 ENERGY= 806.0 kJ/mol
Energy+ZPE= 761.3 kJ/mol ZPE= 0.0325053
CONNECTIONS:
o EQ135 o DDC370
[ TS1349 ] Animation C1 ENERGY= 806.0 kJ/mol
Energy+ZPE= 761.2 kJ/mol ZPE= 0.0324851
CONNECTIONS:
o EQ135 o DDC371
[ TS1350 ] Animation Cs ENERGY= 580.4 kJ/mol
Energy+ZPE= 571.2 kJ/mol ZPE= 0.0460401
CONNECTIONS:
o EQ136 o EQ136
[ TS1351 ] Animation Cs ENERGY= 596.5 kJ/mol
Energy+ZPE= 586.5 kJ/mol ZPE= 0.0457535
CONNECTIONS:
o EQ136 o EQ136
[ TS1352 ] Animation C1 ENERGY= 616.4 kJ/mol
Energy+ZPE= 607.1 kJ/mol ZPE= 0.0459972
CONNECTIONS:
o EQ136 o EQ144
[ TS1353 ] Animation C1 ENERGY= 621.6 kJ/mol
Energy+ZPE= 612.0 kJ/mol ZPE= 0.0458779
CONNECTIONS:
o EQ136 o EQ144
[ TS1354 ] Animation C1 ENERGY= 854.0 kJ/mol
Energy+ZPE= 835.5 kJ/mol ZPE= 0.0425182
CONNECTIONS:
o EQ136 o EQ344
[ TS1355 ] Animation C1 ENERGY= 639.9 kJ/mol
Energy+ZPE= 625.4 kJ/mol ZPE= 0.0440311
CONNECTIONS:
o EQ136 o DDC372
[ TS1356 ] Animation C1 ENERGY= 650.5 kJ/mol
Energy+ZPE= 634.3 kJ/mol ZPE= 0.0433877
CONNECTIONS:
o EQ136 o DDC373
[ TS1357 ] Animation C1 ENERGY= 701.4 kJ/mol
Energy+ZPE= 683.3 kJ/mol ZPE= 0.0426637
CONNECTIONS:
o EQ136 o DDC374
[ TS1358 ] Animation C1 ENERGY= 906.0 kJ/mol
Energy+ZPE= 873.7 kJ/mol ZPE= 0.0372545
CONNECTIONS:
o EQ136 o DDC375
[ TS1359 ] Animation C1 ENERGY= 618.7 kJ/mol
Energy+ZPE= 608.3 kJ/mol ZPE= 0.0455945
CONNECTIONS:
o EQ137 o EQ140
[ TS1360 ] Animation C1 ENERGY= 737.1 kJ/mol
Energy+ZPE= 723.0 kJ/mol ZPE= 0.0441870
CONNECTIONS:
o EQ137 o EQ244
[ TS1361 ] Animation C1 ENERGY= 826.2 kJ/mol
Energy+ZPE= 807.0 kJ/mol ZPE= 0.0422461
CONNECTIONS:
o EQ137 o DDC376
[ TS1362 ] Animation C1 ENERGY= 619.4 kJ/mol
Energy+ZPE= 607.1 kJ/mol ZPE= 0.0448479
CONNECTIONS:
o EQ138 o EQ149
[ TS1363 ] Animation C1 ENERGY= 741.9 kJ/mol
Energy+ZPE= 725.6 kJ/mol ZPE= 0.0433455
CONNECTIONS:
o EQ138 o EQ248
[ TS1364 ] Animation C1 ENERGY= 698.5 kJ/mol
Energy+ZPE= 672.8 kJ/mol ZPE= 0.0397769
CONNECTIONS:
o EQ138 o DDC377
[ TS1365 ] Animation C1 ENERGY= 699.2 kJ/mol
Energy+ZPE= 678.8 kJ/mol ZPE= 0.0417786
CONNECTIONS:
o EQ139 o EQ146
[ TS1366 ] Animation C1 ENERGY= 912.9 kJ/mol
Energy+ZPE= 893.9 kJ/mol ZPE= 0.0423117
CONNECTIONS:
o EQ139 o EQ220
[ TS1367 ] Animation C1 ENERGY= 859.9 kJ/mol
Energy+ZPE= 840.6 kJ/mol ZPE= 0.0422122
CONNECTIONS:
o EQ139 o EQ223
[ TS1368 ] Animation C1 ENERGY= 848.4 kJ/mol
Energy+ZPE= 829.4 kJ/mol ZPE= 0.0422967
CONNECTIONS:
o EQ139 o EQ224
[ TS1369 ] Animation C1 ENERGY= 777.1 kJ/mol
Energy+ZPE= 757.9 kJ/mol ZPE= 0.0422459
CONNECTIONS:
o EQ139 o EQ266
[ TS1370 ] Animation C1 ENERGY= 754.8 kJ/mol
Energy+ZPE= 742.0 kJ/mol ZPE= 0.0446620
CONNECTIONS:
o EQ139 o EQ299
[ TS1371 ] Animation C1 ENERGY= 886.0 kJ/mol
Energy+ZPE= 868.1 kJ/mol ZPE= 0.0427451
CONNECTIONS:
o EQ139 o EQ313
[ TS1372 ] Animation C1 ENERGY= 822.6 kJ/mol
Energy+ZPE= 805.4 kJ/mol ZPE= 0.0429789
CONNECTIONS:
o EQ139 o EQ327
[ TS1373 ] Animation C1 ENERGY= 1104.5 kJ/mol
Energy+ZPE= 1069.5 kJ/mol ZPE= 0.0362154
CONNECTIONS:
o EQ139 o EQ359
[ TS1374 ] Animation C1 ENERGY= 1148.8 kJ/mol
Energy+ZPE= 1123.2 kJ/mol ZPE= 0.0398070
CONNECTIONS:
o EQ139 o EQ472
[ TS1375 ] Animation C1 ENERGY= 1144.3 kJ/mol
Energy+ZPE= 1119.5 kJ/mol ZPE= 0.0401083
CONNECTIONS:
o EQ139 o EQ476
[ TS1376 ] Animation C1 ENERGY= 656.3 kJ/mol
Energy+ZPE= 642.5 kJ/mol ZPE= 0.0442920
CONNECTIONS:
o EQ139 o DDC378
[ TS1377 ] Animation C1 ENERGY= 736.6 kJ/mol
Energy+ZPE= 714.9 kJ/mol ZPE= 0.0412905
CONNECTIONS:
o EQ139 o DDC379
[ TS1378 ] Animation C1 ENERGY= 786.6 kJ/mol
Energy+ZPE= 770.8 kJ/mol ZPE= 0.0435140
CONNECTIONS:
o EQ139 o DDC380
[ TS1379 ] Animation C1 ENERGY= 821.6 kJ/mol
Energy+ZPE= 803.8 kJ/mol ZPE= 0.0427762
CONNECTIONS:
o EQ139 o DDC381
[ TS1380 ] Animation C1 ENERGY= 833.2 kJ/mol
Energy+ZPE= 811.9 kJ/mol ZPE= 0.0414297
CONNECTIONS:
o EQ139 o DDC382
[ TS1381 ] Animation Cs ENERGY= 582.4 kJ/mol
Energy+ZPE= 573.7 kJ/mol ZPE= 0.0462505
CONNECTIONS:
o EQ140 o EQ140
[ TS1382 ] Animation C1 ENERGY= 596.9 kJ/mol
Energy+ZPE= 587.5 kJ/mol ZPE= 0.0459812
CONNECTIONS:
o EQ140 o EQ148
[ TS1383 ] Animation C1 ENERGY= 656.9 kJ/mol
Energy+ZPE= 641.0 kJ/mol ZPE= 0.0434796
CONNECTIONS:
o EQ140 o EQ149
[ TS1384 ] Animation C1 ENERGY= 668.1 kJ/mol
Energy+ZPE= 651.7 kJ/mol ZPE= 0.0432907
CONNECTIONS:
o EQ140 o EQ149
[ TS1385 ] Animation C1 ENERGY= 751.8 kJ/mol
Energy+ZPE= 736.6 kJ/mol ZPE= 0.0437542
CONNECTIONS:
o EQ140 o EQ252
[ TS1386 ] Animation C1 ENERGY= 782.5 kJ/mol
Energy+ZPE= 767.4 kJ/mol ZPE= 0.0438077
CONNECTIONS:
o EQ140 o EQ254
[ TS1387 ] Animation C1 ENERGY= 755.1 kJ/mol
Energy+ZPE= 739.9 kJ/mol ZPE= 0.0437566
CONNECTIONS:
o EQ140 o EQ264
[ TS1388 ] Animation C1 ENERGY= 657.7 kJ/mol
Energy+ZPE= 641.4 kJ/mol ZPE= 0.0433211
CONNECTIONS:
o EQ140 o DDC383
[ TS1389 ] Animation C1 ENERGY= 781.8 kJ/mol
Energy+ZPE= 759.4 kJ/mol ZPE= 0.0410014
CONNECTIONS:
o EQ140 o DDC384
[ TS1390 ] Animation Cs ENERGY= 584.4 kJ/mol
Energy+ZPE= 572.5 kJ/mol ZPE= 0.0450069
CONNECTIONS:
o EQ141 o EQ141
[ TS1391 ] Animation C1 ENERGY= 777.7 kJ/mol
Energy+ZPE= 761.4 kJ/mol ZPE= 0.0433528
CONNECTIONS:
o EQ141 o EQ171
[ TS1392 ] Animation C1 ENERGY= 760.2 kJ/mol
Energy+ZPE= 745.0 kJ/mol ZPE= 0.0437624
CONNECTIONS:
o EQ141 o EQ278
[ TS1393 ] Animation C1 ENERGY= 766.4 kJ/mol
Energy+ZPE= 750.9 kJ/mol ZPE= 0.0436478
CONNECTIONS:
o EQ141 o EQ278
[ TS1394 ] Animation C1 ENERGY= 854.0 kJ/mol
Energy+ZPE= 835.4 kJ/mol ZPE= 0.0424715
CONNECTIONS:
o EQ141 o EQ325
[ TS1395 ] Animation C1 ENERGY= 1106.7 kJ/mol
Energy+ZPE= 1081.6 kJ/mol ZPE= 0.0399753
CONNECTIONS:
o EQ141 o EQ491
[ TS1396 ] Animation C1 ENERGY= 1372.5 kJ/mol
Energy+ZPE= 1348.0 kJ/mol ZPE= 0.0402163
CONNECTIONS:
o EQ141 o EQ547
[ TS1397 ] Animation C1 ENERGY= 666.0 kJ/mol
Energy+ZPE= 638.6 kJ/mol ZPE= 0.0391089
CONNECTIONS:
o EQ141 o DDC385
[ TS1398 ] Animation C1 ENERGY= 667.2 kJ/mol
Energy+ZPE= 652.5 kJ/mol ZPE= 0.0439659
CONNECTIONS:
o EQ142 o EQ162
[ TS1399 ] Animation C1 ENERGY= 678.9 kJ/mol
Energy+ZPE= 665.7 kJ/mol ZPE= 0.0445151
CONNECTIONS:
o EQ142 o EQ183
[ TS1400 ] Animation C1 ENERGY= 791.3 kJ/mol
Energy+ZPE= 775.6 kJ/mol ZPE= 0.0435773
CONNECTIONS:
o EQ142 o EQ295
[ TS1401 ] Animation C1 ENERGY= 846.6 kJ/mol
Energy+ZPE= 822.6 kJ/mol ZPE= 0.0404101
CONNECTIONS:
o EQ142 o EQ339
[ TS1402 ] Animation C1 ENERGY= 695.9 kJ/mol
Energy+ZPE= 676.7 kJ/mol ZPE= 0.0422342
CONNECTIONS:
o EQ142 o DDC386
[ TS1403 ] Animation C1 ENERGY= 701.4 kJ/mol
Energy+ZPE= 681.5 kJ/mol ZPE= 0.0419501
CONNECTIONS:
o EQ142 o DDC387
[ TS1404 ] Animation C1 ENERGY= 703.4 kJ/mol
Energy+ZPE= 683.2 kJ/mol ZPE= 0.0418368
CONNECTIONS:
o EQ142 o DDC388
[ TS1405 ] Animation C1 ENERGY= 819.7 kJ/mol
Energy+ZPE= 794.6 kJ/mol ZPE= 0.0400013
CONNECTIONS:
o EQ142 o DDC389
[ TS1406 ] Animation C1 ENERGY= 709.9 kJ/mol
Energy+ZPE= 695.9 kJ/mol ZPE= 0.0442006
CONNECTIONS:
o EQ143 o EQ157
[ TS1407 ] Animation C1 ENERGY= 718.1 kJ/mol
Energy+ZPE= 703.3 kJ/mol ZPE= 0.0439219
CONNECTIONS:
o EQ143 o EQ160
[ TS1408 ] Animation C1 ENERGY= 1009.8 kJ/mol
Energy+ZPE= 976.2 kJ/mol ZPE= 0.0367333
CONNECTIONS:
o EQ143 o DDC390
[ TS1409 ] Animation C1 ENERGY= 588.9 kJ/mol
Energy+ZPE= 578.7 kJ/mol ZPE= 0.0456620
CONNECTIONS:
o EQ144 o EQ144
[ TS1410 ] Animation C1 ENERGY= 841.0 kJ/mol
Energy+ZPE= 821.8 kJ/mol ZPE= 0.0422347
CONNECTIONS:
o EQ144 o EQ324
[ TS1411 ] Animation C1 ENERGY= 847.9 kJ/mol
Energy+ZPE= 829.5 kJ/mol ZPE= 0.0425367
CONNECTIONS:
o EQ144 o EQ338
[ TS1412 ] Animation C1 ENERGY= 646.4 kJ/mol
Energy+ZPE= 630.6 kJ/mol ZPE= 0.0435355
CONNECTIONS:
o EQ144 o DDC391
[ TS1413 ] Animation C1 ENERGY= 927.5 kJ/mol
Energy+ZPE= 896.8 kJ/mol ZPE= 0.0378370
CONNECTIONS:
o EQ144 o DDC392
[ TS1414 ] Animation Cs ENERGY= 609.9 kJ/mol
Energy+ZPE= 602.6 kJ/mol ZPE= 0.0467633
CONNECTIONS:
o EQ145 o EQ145
[ TS1415 ] Animation C1 ENERGY= 967.4 kJ/mol
Energy+ZPE= 940.4 kJ/mol ZPE= 0.0392505
CONNECTIONS:
o EQ145 o EQ163
[ TS1416 ] Animation C1 ENERGY= 717.6 kJ/mol
Energy+ZPE= 696.5 kJ/mol ZPE= 0.0415292
CONNECTIONS:
o EQ145 o EQ232
[ TS1417 ] Animation C1 ENERGY= 644.8 kJ/mol
Energy+ZPE= 632.2 kJ/mol ZPE= 0.0447366
CONNECTIONS:
o EQ145 o DDC393
[ TS1418 ] Animation C1 ENERGY= 734.8 kJ/mol
Energy+ZPE= 714.1 kJ/mol ZPE= 0.0416594
CONNECTIONS:
o EQ145 o DDC394
[ TS1419 ] Animation C1 ENERGY= 1151.0 kJ/mol
Energy+ZPE= 1125.4 kJ/mol ZPE= 0.0398102
CONNECTIONS:
o EQ146 o EQ489
[ TS1420 ] Animation C1 ENERGY= 624.4 kJ/mol
Energy+ZPE= 598.1 kJ/mol ZPE= 0.0395206
CONNECTIONS:
o EQ146 o DDC395
[ TS1421 ] Animation C1 ENERGY= 775.4 kJ/mol
Energy+ZPE= 748.8 kJ/mol ZPE= 0.0394237
CONNECTIONS:
o EQ146 o DDC396
[ TS1422 ] Animation C1 ENERGY= 807.1 kJ/mol
Energy+ZPE= 768.3 kJ/mol ZPE= 0.0347522
CONNECTIONS:
o EQ146 o DDC397
[ TS1423 ] Animation C1 ENERGY= 868.8 kJ/mol
Energy+ZPE= 848.8 kJ/mol ZPE= 0.0419350
CONNECTIONS:
o EQ146 o DDC398
[ TS1424 ] Animation Cs ENERGY= 907.9 kJ/mol
Energy+ZPE= 876.8 kJ/mol ZPE= 0.0377116
CONNECTIONS:
o EQ147 o EQ293
[ TS1425 ] Animation C1 ENERGY= 683.5 kJ/mol
Energy+ZPE= 665.4 kJ/mol ZPE= 0.0426517
CONNECTIONS:
o EQ147 o DDC399
[ TS1426 ] Animation C1 ENERGY= 688.8 kJ/mol
Energy+ZPE= 668.0 kJ/mol ZPE= 0.0416389
CONNECTIONS:
o EQ147 o DDC400
[ TS1427 ] Animation C1 ENERGY= 1006.1 kJ/mol
Energy+ZPE= 988.0 kJ/mol ZPE= 0.0426521
CONNECTIONS:
o EQ147 o DDC401
[ TS1428 ] Animation C1 ENERGY= 671.8 kJ/mol
Energy+ZPE= 655.3 kJ/mol ZPE= 0.0432775
CONNECTIONS:
o EQ148 o EQ149
[ TS1429 ] Animation C1 ENERGY= 758.1 kJ/mol
Energy+ZPE= 742.5 kJ/mol ZPE= 0.0435925
CONNECTIONS:
o EQ148 o EQ264
[ TS1430 ] Animation C1 ENERGY= 677.7 kJ/mol
Energy+ZPE= 661.4 kJ/mol ZPE= 0.0433241
CONNECTIONS:
o EQ148 o DDC402
[ TS1431 ] Animation Cs ENERGY= 596.2 kJ/mol
Energy+ZPE= 585.0 kJ/mol ZPE= 0.0452798
CONNECTIONS:
o EQ149 o EQ149
[ TS1432 ] Animation C1 ENERGY= 798.6 kJ/mol
Energy+ZPE= 769.2 kJ/mol ZPE= 0.0383652
CONNECTIONS:
o EQ149 o EQ159
[ TS1433 ] Animation C1 ENERGY= 752.7 kJ/mol
Energy+ZPE= 734.8 kJ/mol ZPE= 0.0427339
CONNECTIONS:
o EQ149 o EQ269
[ TS1434 ] Animation C1 ENERGY= 754.8 kJ/mol
Energy+ZPE= 736.7 kJ/mol ZPE= 0.0426636
CONNECTIONS:
o EQ149 o EQ269
[ TS1435 ] Animation C1 ENERGY= 832.4 kJ/mol
Energy+ZPE= 813.6 kJ/mol ZPE= 0.0423766
CONNECTIONS:
o EQ149 o EQ286
[ TS1436 ] Animation C1 ENERGY= 777.7 kJ/mol
Energy+ZPE= 760.1 kJ/mol ZPE= 0.0428383
CONNECTIONS:
o EQ149 o EQ287
[ TS1437 ] Animation C1 ENERGY= 782.8 kJ/mol
Energy+ZPE= 764.9 kJ/mol ZPE= 0.0427238
CONNECTIONS:
o EQ149 o EQ287
[ TS1438 ] Animation C1 ENERGY= 630.2 kJ/mol
Energy+ZPE= 607.9 kJ/mol ZPE= 0.0410630
CONNECTIONS:
o EQ149 o DDC403
[ TS1439 ] Animation C1 ENERGY= 649.2 kJ/mol
Energy+ZPE= 631.0 kJ/mol ZPE= 0.0426272
CONNECTIONS:
o EQ149 o DDC404
[ TS1440 ] Animation C1 ENERGY= 663.7 kJ/mol
Energy+ZPE= 648.0 kJ/mol ZPE= 0.0435487
CONNECTIONS:
o EQ149 o DDC405
[ TS1441 ] Animation C1 ENERGY= 733.4 kJ/mol
Energy+ZPE= 710.7 kJ/mol ZPE= 0.0408920
CONNECTIONS:
o EQ149 o DDC406
[ TS1442 ] Animation Cs ENERGY= 597.9 kJ/mol
Energy+ZPE= 584.4 kJ/mol ZPE= 0.0444001
CONNECTIONS:
o EQ150 o EQ150
[ TS1443 ] Animation C1 ENERGY= 640.6 kJ/mol
Energy+ZPE= 624.6 kJ/mol ZPE= 0.0434500
CONNECTIONS:
o EQ150 o EQ168
[ TS1444 ] Animation C1 ENERGY= 645.9 kJ/mol
Energy+ZPE= 629.9 kJ/mol ZPE= 0.0434481
CONNECTIONS:
o EQ150 o EQ168
[ TS1445 ] Animation C1 ENERGY= 1249.3 kJ/mol
Energy+ZPE= 1229.0 kJ/mol ZPE= 0.0418061
CONNECTIONS:
o EQ150 o EQ520
[ TS1446 ] Animation C1 ENERGY= 679.5 kJ/mol
Energy+ZPE= 661.5 kJ/mol ZPE= 0.0426761
CONNECTIONS:
o EQ150 o DDC407
[ TS1447 ] Animation C1 ENERGY= 715.8 kJ/mol
Energy+ZPE= 689.0 kJ/mol ZPE= 0.0393518
CONNECTIONS:
o EQ150 o DDC408
[ TS1448 ] Animation C1 ENERGY= 854.3 kJ/mol
Energy+ZPE= 824.9 kJ/mol ZPE= 0.0383680
CONNECTIONS:
o EQ150 o DDC409
[ TS1449 ] Animation C1 ENERGY= 828.1 kJ/mol
Energy+ZPE= 811.1 kJ/mol ZPE= 0.0430681
CONNECTIONS:
o EQ151 o EQ151
[ TS1450 ] Animation C1 ENERGY= 661.1 kJ/mol
Energy+ZPE= 649.9 kJ/mol ZPE= 0.0452850
CONNECTIONS:
o EQ151 o EQ183
[ TS1451 ] Animation Cs ENERGY= 807.8 kJ/mol
Energy+ZPE= 786.0 kJ/mol ZPE= 0.0412428
CONNECTIONS:
o EQ151 o EQ277
[ TS1452 ] Animation C1 ENERGY= 782.9 kJ/mol
Energy+ZPE= 767.3 kJ/mol ZPE= 0.0436020
CONNECTIONS:
o EQ151 o EQ295
[ TS1453 ] Animation C1 ENERGY= 696.9 kJ/mol
Energy+ZPE= 676.5 kJ/mol ZPE= 0.0417870
CONNECTIONS:
o EQ151 o DDC410
[ TS1454 ] Animation C1 ENERGY= 821.0 kJ/mol
Energy+ZPE= 795.8 kJ/mol ZPE= 0.0399332
CONNECTIONS:
o EQ151 o DDC411
[ TS1455 ] Animation C1 ENERGY= 975.4 kJ/mol
Energy+ZPE= 933.2 kJ/mol ZPE= 0.0334917
CONNECTIONS:
o EQ151 o DDC412
[ TS1456 ] Animation C1 ENERGY= 605.4 kJ/mol
Energy+ZPE= 584.8 kJ/mol ZPE= 0.0417052
CONNECTIONS:
o EQ152 o DDC413
[ TS1457 ] Animation C1 ENERGY= 642.5 kJ/mol
Energy+ZPE= 622.3 kJ/mol ZPE= 0.0418616
CONNECTIONS:
o EQ152 o DDC414
[ TS1458 ] Animation C1 ENERGY= 665.6 kJ/mol
Energy+ZPE= 642.9 kJ/mol ZPE= 0.0409200
CONNECTIONS:
o EQ152 o DDC415
[ TS1459 ] Animation Cs ENERGY= 611.3 kJ/mol
Energy+ZPE= 594.5 kJ/mol ZPE= 0.0431532
CONNECTIONS:
o EQ153 o EQ153
[ TS1460 ] Animation C1 ENERGY= 897.0 kJ/mol
Energy+ZPE= 869.9 kJ/mol ZPE= 0.0392213
CONNECTIONS:
o EQ153 o EQ153
[ TS1461 ] Animation C1 ENERGY= 643.3 kJ/mol
Energy+ZPE= 628.9 kJ/mol ZPE= 0.0440563
CONNECTIONS:
o EQ153 o EQ156
[ TS1462 ] Animation C1 ENERGY= 663.4 kJ/mol
Energy+ZPE= 646.7 kJ/mol ZPE= 0.0431865
CONNECTIONS:
o EQ153 o EQ156
[ TS1463 ] Animation C1 ENERGY= 625.9 kJ/mol
Energy+ZPE= 610.1 kJ/mol ZPE= 0.0435307
CONNECTIONS:
o EQ153 o EQ167
[ TS1464 ] Animation C1 ENERGY= 646.7 kJ/mol
Energy+ZPE= 634.8 kJ/mol ZPE= 0.0450286
CONNECTIONS:
o EQ153 o DDC416
[ TS1465 ] Animation C1 ENERGY= 718.9 kJ/mol
Energy+ZPE= 690.7 kJ/mol ZPE= 0.0388101
CONNECTIONS:
o EQ153 o DDC417
[ TS1466 ] Animation C1 ENERGY= 804.4 kJ/mol
Energy+ZPE= 776.5 kJ/mol ZPE= 0.0389191
CONNECTIONS:
o EQ153 o DDC418
[ TS1467 ] Animation C1 ENERGY= 898.2 kJ/mol
Energy+ZPE= 879.7 kJ/mol ZPE= 0.0424889
CONNECTIONS:
o EQ153 o DDC419
[ TS1468 ] Animation C1 ENERGY= 682.8 kJ/mol
Energy+ZPE= 663.8 kJ/mol ZPE= 0.0423018
CONNECTIONS:
o EQ154 o EQ155
[ TS1469 ] Animation C1 ENERGY= 615.5 kJ/mol
Energy+ZPE= 599.4 kJ/mol ZPE= 0.0433981
CONNECTIONS:
o EQ154 o EQ158
[ TS1470 ] Animation C1 ENERGY= 662.1 kJ/mol
Energy+ZPE= 645.2 kJ/mol ZPE= 0.0431005
CONNECTIONS:
o EQ154 o EQ164
[ TS1471 ] Animation C1 ENERGY= 626.6 kJ/mol
Energy+ZPE= 611.3 kJ/mol ZPE= 0.0437287
CONNECTIONS:
o EQ154 o EQ165
[ TS1472 ] Animation C1 ENERGY= 696.9 kJ/mol
Energy+ZPE= 679.5 kJ/mol ZPE= 0.0429387
CONNECTIONS:
o EQ154 o EQ201
[ TS1473 ] Animation C1 ENERGY= 838.7 kJ/mol
Energy+ZPE= 820.1 kJ/mol ZPE= 0.0424467
CONNECTIONS:
o EQ154 o EQ243
[ TS1474 ] Animation C1 ENERGY= 850.9 kJ/mol
Energy+ZPE= 830.8 kJ/mol ZPE= 0.0419008
CONNECTIONS:
o EQ154 o EQ342
[ TS1475 ] Animation C1 ENERGY= 611.8 kJ/mol
Energy+ZPE= 597.7 kJ/mol ZPE= 0.0441899
CONNECTIONS:
o EQ155 o EQ156
[ TS1476 ] Animation Cs ENERGY= 863.2 kJ/mol
Energy+ZPE= 838.3 kJ/mol ZPE= 0.0400621
CONNECTIONS:
o EQ155 o EQ156
[ TS1477 ] Animation C1 ENERGY= 619.5 kJ/mol
Energy+ZPE= 603.8 kJ/mol ZPE= 0.0435546
CONNECTIONS:
o EQ155 o EQ161
[ TS1478 ] Animation C1 ENERGY= 666.4 kJ/mol
Energy+ZPE= 649.3 kJ/mol ZPE= 0.0430500
CONNECTIONS:
o EQ155 o EQ166
[ TS1479 ] Animation C1 ENERGY= 660.7 kJ/mol
Energy+ZPE= 644.3 kJ/mol ZPE= 0.0433187
CONNECTIONS:
o EQ155 o EQ167
[ TS1480 ] Animation C1 ENERGY= 660.9 kJ/mol
Energy+ZPE= 644.4 kJ/mol ZPE= 0.0432674
CONNECTIONS:
o EQ155 o EQ167
[ TS1481 ] Animation C1 ENERGY= 828.6 kJ/mol
Energy+ZPE= 810.7 kJ/mol ZPE= 0.0427433
CONNECTIONS:
o EQ155 o EQ200
[ TS1482 ] Animation C1 ENERGY= 1361.4 kJ/mol
Energy+ZPE= 1331.1 kJ/mol ZPE= 0.0380207
CONNECTIONS:
o EQ155 o EQ393
[ TS1483 ] Animation C1 ENERGY= 1346.5 kJ/mol
Energy+ZPE= 1313.7 kJ/mol ZPE= 0.0370533
CONNECTIONS:
o EQ155 o EQ560
[ TS1484 ] Animation Cs ENERGY= 615.2 kJ/mol
Energy+ZPE= 600.9 kJ/mol ZPE= 0.0441038
CONNECTIONS:
o EQ156 o EQ156
[ TS1485 ] Animation C1 ENERGY= 620.1 kJ/mol
Energy+ZPE= 604.4 kJ/mol ZPE= 0.0435812
CONNECTIONS:
o EQ156 o EQ156
[ TS1486 ] Animation Cs ENERGY= 622.3 kJ/mol
Energy+ZPE= 606.9 kJ/mol ZPE= 0.0436822
CONNECTIONS:
o EQ156 o EQ156
[ TS1487 ] Animation C1 ENERGY= 682.6 kJ/mol
Energy+ZPE= 663.4 kJ/mol ZPE= 0.0422526
CONNECTIONS:
o EQ156 o EQ165
[ TS1488 ] Animation C1 ENERGY= 828.7 kJ/mol
Energy+ZPE= 810.9 kJ/mol ZPE= 0.0427832
CONNECTIONS:
o EQ156 o EQ211
[ TS1489 ] Animation C1 ENERGY= 707.7 kJ/mol
Energy+ZPE= 691.2 kJ/mol ZPE= 0.0432780
CONNECTIONS:
o EQ156 o EQ232
[ TS1490 ] Animation C1 ENERGY= 842.8 kJ/mol
Energy+ZPE= 823.4 kJ/mol ZPE= 0.0421448
CONNECTIONS:
o EQ156 o EQ331
[ TS1491 ] Animation C1 ENERGY= 845.5 kJ/mol
Energy+ZPE= 825.8 kJ/mol ZPE= 0.0420561
CONNECTIONS:
o EQ156 o EQ331
[ TS1492 ] Animation C1 ENERGY= 709.5 kJ/mol
Energy+ZPE= 693.5 kJ/mol ZPE= 0.0434419
CONNECTIONS:
o EQ156 o DDC420
[ TS1493 ] Animation C1 ENERGY= 970.4 kJ/mol
Energy+ZPE= 948.7 kJ/mol ZPE= 0.0412911
CONNECTIONS:
o EQ156 o DDC421
[ TS1494 ] Animation C1 ENERGY= 1322.3 kJ/mol
Energy+ZPE= 1291.6 kJ/mol ZPE= 0.0378500
CONNECTIONS:
o EQ156 o DDC422
[ TS1495 ] Animation C1 ENERGY= 836.5 kJ/mol
Energy+ZPE= 817.6 kJ/mol ZPE= 0.0423660
CONNECTIONS:
o EQ157 o EQ328
[ TS1496 ] Animation C1 ENERGY= 903.7 kJ/mol
Energy+ZPE= 881.8 kJ/mol ZPE= 0.0412178
CONNECTIONS:
o EQ157 o EQ350
[ TS1497 ] Animation C1 ENERGY= 613.2 kJ/mol
Energy+ZPE= 594.9 kJ/mol ZPE= 0.0425596
CONNECTIONS:
o EQ157 o DDC423
[ TS1498 ] Animation C1 ENERGY= 1331.5 kJ/mol
Energy+ZPE= 1299.8 kJ/mol ZPE= 0.0374718
CONNECTIONS:
o EQ157 o DDC424
[ TS1499 ] Animation C1 ENERGY= 633.1 kJ/mol
Energy+ZPE= 610.1 kJ/mol ZPE= 0.0408028
CONNECTIONS:
o EQ158 o DDC425
[ TS1500 ] Animation C1 ENERGY= 710.9 kJ/mol
Energy+ZPE= 687.6 kJ/mol ZPE= 0.0406813
CONNECTIONS:
o EQ159 o EQ208
[ TS1501 ] Animation C1 ENERGY= 771.5 kJ/mol
Energy+ZPE= 751.4 kJ/mol ZPE= 0.0418784
CONNECTIONS:
o EQ159 o EQ274
[ TS1502 ] Animation C1 ENERGY= 630.2 kJ/mol
Energy+ZPE= 609.4 kJ/mol ZPE= 0.0416185
CONNECTIONS:
o EQ159 o DDC426
[ TS1503 ] Animation C1 ENERGY= 639.4 kJ/mol
Energy+ZPE= 617.4 kJ/mol ZPE= 0.0411869
CONNECTIONS:
o EQ159 o DDC427
[ TS1504 ] Animation C1 ENERGY= 672.8 kJ/mol
Energy+ZPE= 643.4 kJ/mol ZPE= 0.0383497
CONNECTIONS:
o EQ159 o DDC428
[ TS1505 ] Animation C1 ENERGY= 1003.8 kJ/mol
Energy+ZPE= 979.7 kJ/mol ZPE= 0.0403860
CONNECTIONS:
o EQ160 o EQ285
[ TS1506 ] Animation C1 ENERGY= 829.3 kJ/mol
Energy+ZPE= 812.5 kJ/mol ZPE= 0.0431358
CONNECTIONS:
o EQ160 o EQ331
[ TS1507 ] Animation C1 ENERGY= 916.3 kJ/mol
Energy+ZPE= 893.9 kJ/mol ZPE= 0.0409990
CONNECTIONS:
o EQ160 o EQ334
[ TS1508 ] Animation C1 ENERGY= 922.5 kJ/mol
Energy+ZPE= 899.4 kJ/mol ZPE= 0.0407556
CONNECTIONS:
o EQ160 o EQ342
[ TS1509 ] Animation Cs ENERGY= 622.7 kJ/mol
Energy+ZPE= 605.5 kJ/mol ZPE= 0.0430056
CONNECTIONS:
o EQ160 o DDC429
[ TS1510 ] Animation C1 ENERGY= 911.6 kJ/mol
Energy+ZPE= 883.0 kJ/mol ZPE= 0.0386436
CONNECTIONS:
o EQ160 o DDC430
[ TS1511 ] Animation C1 ENERGY= 988.6 kJ/mol
Energy+ZPE= 966.2 kJ/mol ZPE= 0.0410021
CONNECTIONS:
o EQ160 o DDC431
[ TS1512 ] Animation C1 ENERGY= 664.2 kJ/mol
Energy+ZPE= 647.4 kJ/mol ZPE= 0.0431472
CONNECTIONS:
o EQ161 o EQ166
[ TS1513 ] Animation Cs ENERGY= 672.2 kJ/mol
Energy+ZPE= 647.1 kJ/mol ZPE= 0.0399743
CONNECTIONS:
o EQ161 o DDC432
[ TS1514 ] Animation Cs ENERGY= 629.7 kJ/mol
Energy+ZPE= 618.2 kJ/mol ZPE= 0.0451536
CONNECTIONS:
o EQ162 o EQ162
[ TS1515 ] Animation Cs ENERGY= 820.1 kJ/mol
Energy+ZPE= 797.2 kJ/mol ZPE= 0.0408390
CONNECTIONS:
o EQ162 o EQ292
[ TS1516 ] Animation C1 ENERGY= 925.0 kJ/mol
Energy+ZPE= 902.3 kJ/mol ZPE= 0.0409172
CONNECTIONS:
o EQ162 o DDC433
[ TS1517 ] Animation Cs ENERGY= 626.6 kJ/mol
Energy+ZPE= 610.9 kJ/mol ZPE= 0.0435774
CONNECTIONS:
o EQ163 o EQ163
[ TS1518 ] Animation C1 ENERGY= 897.9 kJ/mol
Energy+ZPE= 870.8 kJ/mol ZPE= 0.0392158
CONNECTIONS:
o EQ163 o EQ163
[ TS1519 ] Animation C1 ENERGY= 624.4 kJ/mol
Energy+ZPE= 607.8 kJ/mol ZPE= 0.0432392
CONNECTIONS:
o EQ163 o EQ164
[ TS1520 ] Animation C1 ENERGY= 905.7 kJ/mol
Energy+ZPE= 885.8 kJ/mol ZPE= 0.0419662
CONNECTIONS:
o EQ163 o EQ164
[ TS1521 ] Animation C1 ENERGY= 942.2 kJ/mol
Energy+ZPE= 920.1 kJ/mol ZPE= 0.0411408
CONNECTIONS:
o EQ163 o EQ166
[ TS1522 ] Animation C1 ENERGY= 948.7 kJ/mol
Energy+ZPE= 926.1 kJ/mol ZPE= 0.0409530
CONNECTIONS:
o EQ163 o EQ166
[ TS1523 ] Animation C1 ENERGY= 690.6 kJ/mol
Energy+ZPE= 670.9 kJ/mol ZPE= 0.0420394
CONNECTIONS:
o EQ163 o EQ167
[ TS1524 ] Animation C1 ENERGY= 639.5 kJ/mol
Energy+ZPE= 622.9 kJ/mol ZPE= 0.0432290
CONNECTIONS:
o EQ163 o EQ172
[ TS1525 ] Animation C1 ENERGY= 702.4 kJ/mol
Energy+ZPE= 684.5 kJ/mol ZPE= 0.0427476
CONNECTIONS:
o EQ163 o EQ201
[ TS1526 ] Animation C1 ENERGY= 882.9 kJ/mol
Energy+ZPE= 865.2 kJ/mol ZPE= 0.0427877
CONNECTIONS:
o EQ163 o EQ366
[ TS1527 ] Animation C1 ENERGY= 917.3 kJ/mol
Energy+ZPE= 896.3 kJ/mol ZPE= 0.0415530
CONNECTIONS:
o EQ163 o EQ387
[ TS1528 ] Animation Cs ENERGY= 680.9 kJ/mol
Energy+ZPE= 657.2 kJ/mol ZPE= 0.0405026
CONNECTIONS:
o EQ163 o DDC434
[ TS1529 ] Animation C1 ENERGY= 772.5 kJ/mol
Energy+ZPE= 745.0 kJ/mol ZPE= 0.0390809
CONNECTIONS:
o EQ163 o DDC435
[ TS1530 ] Animation C1 ENERGY= 888.1 kJ/mol
Energy+ZPE= 868.5 kJ/mol ZPE= 0.0420731
CONNECTIONS:
o EQ164 o EQ164
[ TS1531 ] Animation C1 ENERGY= 898.3 kJ/mol
Energy+ZPE= 870.9 kJ/mol ZPE= 0.0391296
CONNECTIONS:
o EQ164 o EQ164
[ TS1532 ] Animation C1 ENERGY= 692.6 kJ/mol
Energy+ZPE= 672.5 kJ/mol ZPE= 0.0418812
CONNECTIONS:
o EQ164 o EQ166
[ TS1533 ] Animation C1 ENERGY= 640.8 kJ/mol
Energy+ZPE= 623.8 kJ/mol ZPE= 0.0430733
CONNECTIONS:
o EQ164 o EQ173
[ TS1534 ] Animation C1 ENERGY= 704.8 kJ/mol
Energy+ZPE= 686.4 kJ/mol ZPE= 0.0425421
CONNECTIONS:
o EQ164 o EQ204
[ TS1535 ] Animation Cs ENERGY= 1017.9 kJ/mol
Energy+ZPE= 986.5 kJ/mol ZPE= 0.0376010
CONNECTIONS:
o EQ164 o EQ341
[ TS1536 ] Animation C1 ENERGY= 993.4 kJ/mol
Energy+ZPE= 971.9 kJ/mol ZPE= 0.0413545
CONNECTIONS:
o EQ164 o EQ348
[ TS1537 ] Animation C1 ENERGY= 909.4 kJ/mol
Energy+ZPE= 889.0 kJ/mol ZPE= 0.0417917
CONNECTIONS:
o EQ164 o EQ366
[ TS1538 ] Animation Cs ENERGY= 680.8 kJ/mol
Energy+ZPE= 655.5 kJ/mol ZPE= 0.0399056
CONNECTIONS:
o EQ164 o DDC436
[ TS1539 ] Animation Cs ENERGY= 682.3 kJ/mol
Energy+ZPE= 656.4 kJ/mol ZPE= 0.0396990
CONNECTIONS:
o EQ164 o DDC437
[ TS1540 ] Animation C1 ENERGY= 828.5 kJ/mol
Energy+ZPE= 796.0 kJ/mol ZPE= 0.0371760
CONNECTIONS:
o EQ164 o DDC438
[ TS1541 ] Animation Cs ENERGY= 627.7 kJ/mol
Energy+ZPE= 612.4 kJ/mol ZPE= 0.0437256
CONNECTIONS:
o EQ165 o EQ165
[ TS1542 ] Animation C1 ENERGY= 667.8 kJ/mol
Energy+ZPE= 651.1 kJ/mol ZPE= 0.0431830
CONNECTIONS:
o EQ165 o EQ172
[ TS1543 ] Animation C1 ENERGY= 831.6 kJ/mol
Energy+ZPE= 813.7 kJ/mol ZPE= 0.0427246
CONNECTIONS:
o EQ165 o EQ226
[ TS1544 ] Animation C1 ENERGY= 924.6 kJ/mol
Energy+ZPE= 898.0 kJ/mol ZPE= 0.0393993
CONNECTIONS:
o EQ165 o EQ235
[ TS1545 ] Animation C1 ENERGY= 852.4 kJ/mol
Energy+ZPE= 831.8 kJ/mol ZPE= 0.0417143
CONNECTIONS:
o EQ165 o EQ334
[ TS1546 ] Animation C1 ENERGY= 664.7 kJ/mol
Energy+ZPE= 639.3 kJ/mol ZPE= 0.0398766
CONNECTIONS:
o EQ165 o DDC439
[ TS1547 ] Animation C1 ENERGY= 710.9 kJ/mol
Energy+ZPE= 694.4 kJ/mol ZPE= 0.0432589
CONNECTIONS:
o EQ165 o DDC440
[ TS1548 ] Animation C1 ENERGY= 1072.2 kJ/mol
Energy+ZPE= 1043.5 kJ/mol ZPE= 0.0386141
CONNECTIONS:
o EQ165 o DDC441
[ TS1549 ] Animation C1 ENERGY= 1335.1 kJ/mol
Energy+ZPE= 1298.5 kJ/mol ZPE= 0.0356050
CONNECTIONS:
o EQ165 o DDC442
[ TS1550 ] Animation Cs ENERGY= 635.1 kJ/mol
Energy+ZPE= 619.0 kJ/mol ZPE= 0.0434308
CONNECTIONS:
o EQ166 o EQ166
[ TS1551 ] Animation C1 ENERGY= 898.4 kJ/mol
Energy+ZPE= 871.6 kJ/mol ZPE= 0.0393407
CONNECTIONS:
o EQ166 o EQ166
[ TS1552 ] Animation C1 ENERGY= 626.1 kJ/mol
Energy+ZPE= 610.0 kJ/mol ZPE= 0.0434025
CONNECTIONS:
o EQ166 o EQ167
[ TS1553 ] Animation C1 ENERGY= 707.3 kJ/mol
Energy+ZPE= 687.3 kJ/mol ZPE= 0.0419165
CONNECTIONS:
o EQ166 o EQ204
[ TS1554 ] Animation C1 ENERGY= 885.4 kJ/mol
Energy+ZPE= 867.6 kJ/mol ZPE= 0.0427714
CONNECTIONS:
o EQ166 o EQ371
[ TS1555 ] Animation C1 ENERGY= 685.7 kJ/mol
Energy+ZPE= 671.8 kJ/mol ZPE= 0.0442580
CONNECTIONS:
o EQ166 o DDC443
[ TS1556 ] Animation C1 ENERGY= 870.4 kJ/mol
Energy+ZPE= 853.2 kJ/mol ZPE= 0.0430135
CONNECTIONS:
o EQ166 o DDC444
[ TS1557 ] Animation Cs ENERGY= 627.2 kJ/mol
Energy+ZPE= 611.0 kJ/mol ZPE= 0.0433888
CONNECTIONS:
o EQ167 o EQ167
[ TS1558 ] Animation C1 ENERGY= 895.0 kJ/mol
Energy+ZPE= 867.9 kJ/mol ZPE= 0.0392267
CONNECTIONS:
o EQ167 o EQ167
[ TS1559 ] Animation C1 ENERGY= 897.5 kJ/mol
Energy+ZPE= 878.7 kJ/mol ZPE= 0.0423828
CONNECTIONS:
o EQ167 o EQ167
[ TS1560 ] Animation C1 ENERGY= 1005.8 kJ/mol
Energy+ZPE= 975.2 kJ/mol ZPE= 0.0378890
CONNECTIONS:
o EQ167 o EQ328
[ TS1561 ] Animation C1 ENERGY= 907.4 kJ/mol
Energy+ZPE= 887.6 kJ/mol ZPE= 0.0420146
CONNECTIONS:
o EQ167 o EQ371
[ TS1562 ] Animation Cs ENERGY= 705.0 kJ/mol
Energy+ZPE= 680.1 kJ/mol ZPE= 0.0400618
CONNECTIONS:
o EQ167 o DDC445
[ TS1563 ] Animation Cs ENERGY= 633.9 kJ/mol
Energy+ZPE= 617.5 kJ/mol ZPE= 0.0432852
CONNECTIONS:
o EQ168 o EQ168
[ TS1564 ] Animation C1 ENERGY= 834.7 kJ/mol
Energy+ZPE= 816.1 kJ/mol ZPE= 0.0424812
CONNECTIONS:
o EQ168 o EQ300
[ TS1565 ] Animation C1 ENERGY= 835.8 kJ/mol
Energy+ZPE= 816.7 kJ/mol ZPE= 0.0422835
CONNECTIONS:
o EQ168 o EQ300
[ TS1566 ] Animation C1 ENERGY= 783.7 kJ/mol
Energy+ZPE= 753.2 kJ/mol ZPE= 0.0379313
CONNECTIONS:
o EQ168 o EQ305
[ TS1567 ] Animation C1 ENERGY= 1073.1 kJ/mol
Energy+ZPE= 1053.7 kJ/mol ZPE= 0.0421716
CONNECTIONS:
o EQ168 o EQ454
[ TS1568 ] Animation Cs ENERGY= 800.5 kJ/mol
Energy+ZPE= 764.3 kJ/mol ZPE= 0.0357414
CONNECTIONS:
o EQ168 o DDC446
[ TS1569 ] Animation Cs ENERGY= 659.6 kJ/mol
Energy+ZPE= 637.2 kJ/mol ZPE= 0.0410065
CONNECTIONS:
o EQ169 o EQ169
[ TS1570 ] Animation C1 ENERGY= 638.3 kJ/mol
Energy+ZPE= 609.5 kJ/mol ZPE= 0.0385646
CONNECTIONS:
o EQ169 o DDC447
[ TS1571 ] Animation Cs ENERGY= 641.1 kJ/mol
Energy+ZPE= 629.5 kJ/mol ZPE= 0.0451353
CONNECTIONS:
o EQ170 o EQ170
[ TS1572 ] Animation C1 ENERGY= 661.6 kJ/mol
Energy+ZPE= 648.1 kJ/mol ZPE= 0.0444142
CONNECTIONS:
o EQ170 o EQ171
[ TS1573 ] Animation C1 ENERGY= 667.5 kJ/mol
Energy+ZPE= 653.8 kJ/mol ZPE= 0.0443389
CONNECTIONS:
o EQ170 o EQ171
[ TS1574 ] Animation C1 ENERGY= 681.8 kJ/mol
Energy+ZPE= 668.0 kJ/mol ZPE= 0.0442785
CONNECTIONS:
o EQ170 o EQ174
[ TS1575 ] Animation C1 ENERGY= 761.9 kJ/mol
Energy+ZPE= 743.0 kJ/mol ZPE= 0.0423418
CONNECTIONS:
o EQ170 o EQ178
[ TS1576 ] Animation C1 ENERGY= 768.7 kJ/mol
Energy+ZPE= 749.4 kJ/mol ZPE= 0.0422105
CONNECTIONS:
o EQ170 o EQ178
[ TS1577 ] Animation C1 ENERGY= 815.6 kJ/mol
Energy+ZPE= 800.2 kJ/mol ZPE= 0.0436901
CONNECTIONS:
o EQ170 o EQ278
[ TS1578 ] Animation C1 ENERGY= 835.6 kJ/mol
Energy+ZPE= 817.7 kJ/mol ZPE= 0.0427399
CONNECTIONS:
o EQ170 o EQ303
[ TS1579 ] Animation C1 ENERGY= 695.9 kJ/mol
Energy+ZPE= 672.7 kJ/mol ZPE= 0.0406960
CONNECTIONS:
o EQ170 o DDC448
[ TS1580 ] Animation Cs ENERGY= 645.5 kJ/mol
Energy+ZPE= 633.6 kJ/mol ZPE= 0.0450085
CONNECTIONS:
o EQ171 o EQ171
[ TS1581 ] Animation C1 ENERGY= 663.6 kJ/mol
Energy+ZPE= 650.3 kJ/mol ZPE= 0.0444914
CONNECTIONS:
o EQ171 o EQ174
[ TS1582 ] Animation C1 ENERGY= 761.5 kJ/mol
Energy+ZPE= 742.0 kJ/mol ZPE= 0.0421034
CONNECTIONS:
o EQ171 o EQ175
[ TS1583 ] Animation C1 ENERGY= 686.9 kJ/mol
Energy+ZPE= 665.0 kJ/mol ZPE= 0.0411895
CONNECTIONS:
o EQ171 o DDC449
[ TS1584 ] Animation C1 ENERGY= 640.9 kJ/mol
Energy+ZPE= 623.8 kJ/mol ZPE= 0.0430453
CONNECTIONS:
o EQ172 o EQ173
[ TS1585 ] Animation C1 ENERGY= 677.5 kJ/mol
Energy+ZPE= 658.6 kJ/mol ZPE= 0.0423552
CONNECTIONS:
o EQ172 o EQ173
[ TS1586 ] Animation C1 ENERGY= 645.7 kJ/mol
Energy+ZPE= 632.3 kJ/mol ZPE= 0.0444368
CONNECTIONS:
o EQ172 o DDC450
[ TS1587 ] Animation C1 ENERGY= 765.4 kJ/mol
Energy+ZPE= 739.8 kJ/mol ZPE= 0.0398020
CONNECTIONS:
o EQ172 o DDC451
[ TS1588 ] Animation C1 ENERGY= 949.7 kJ/mol
Energy+ZPE= 929.1 kJ/mol ZPE= 0.0417154
CONNECTIONS:
o EQ172 o DDC452
[ TS1589 ] Animation C1 ENERGY= 924.4 kJ/mol
Energy+ZPE= 895.1 kJ/mol ZPE= 0.0383840
CONNECTIONS:
o EQ173 o EQ173
[ TS1590 ] Animation C1 ENERGY= 917.2 kJ/mol
Energy+ZPE= 896.0 kJ/mol ZPE= 0.0414692
CONNECTIONS:
o EQ173 o EQ387
[ TS1591 ] Animation C1 ENERGY= 656.5 kJ/mol
Energy+ZPE= 643.3 kJ/mol ZPE= 0.0445284
CONNECTIONS:
o EQ173 o DDC453
[ TS1592 ] Animation C1 ENERGY= 774.7 kJ/mol
Energy+ZPE= 749.8 kJ/mol ZPE= 0.0400523
CONNECTIONS:
o EQ173 o DDC454
[ TS1593 ] Animation C1 ENERGY= 780.9 kJ/mol
Energy+ZPE= 755.4 kJ/mol ZPE= 0.0398268
CONNECTIONS:
o EQ173 o DDC455
[ TS1594 ] Animation C1 ENERGY= 767.0 kJ/mol
Energy+ZPE= 746.9 kJ/mol ZPE= 0.0418880
CONNECTIONS:
o EQ174 o EQ177
[ TS1595 ] Animation C1 ENERGY= 768.4 kJ/mol
Energy+ZPE= 748.4 kJ/mol ZPE= 0.0419478
CONNECTIONS:
o EQ174 o EQ177
[ TS1596 ] Animation C1 ENERGY= 767.6 kJ/mol
Energy+ZPE= 748.9 kJ/mol ZPE= 0.0424129
CONNECTIONS:
o EQ174 o EQ181
[ TS1597 ] Animation C1 ENERGY= 748.4 kJ/mol
Energy+ZPE= 727.4 kJ/mol ZPE= 0.0415590
CONNECTIONS:
o EQ174 o DDC456
[ TS1598 ] Animation C1 ENERGY= 759.8 kJ/mol
Energy+ZPE= 733.7 kJ/mol ZPE= 0.0396250
CONNECTIONS:
o EQ174 o DDC457
[ TS1599 ] Animation Cs ENERGY= 654.7 kJ/mol
Energy+ZPE= 644.1 kJ/mol ZPE= 0.0455224
CONNECTIONS:
o EQ175 o EQ175
[ TS1600 ] Animation C1 ENERGY= 651.9 kJ/mol
Energy+ZPE= 640.3 kJ/mol ZPE= 0.0451344
CONNECTIONS:
o EQ175 o EQ177
[ TS1601 ] Animation C1 ENERGY= 666.2 kJ/mol
Energy+ZPE= 653.3 kJ/mol ZPE= 0.0446505
CONNECTIONS:
o EQ175 o EQ178
[ TS1602 ] Animation C1 ENERGY= 671.1 kJ/mol
Energy+ZPE= 657.8 kJ/mol ZPE= 0.0444983
CONNECTIONS:
o EQ175 o EQ178
[ TS1603 ] Animation C1 ENERGY= 771.7 kJ/mol
Energy+ZPE= 758.2 kJ/mol ZPE= 0.0443924
CONNECTIONS:
o EQ175 o EQ294
[ TS1604 ] Animation C1 ENERGY= 776.2 kJ/mol
Energy+ZPE= 755.1 kJ/mol ZPE= 0.0415052
CONNECTIONS:
o EQ175 o DDC458
[ TS1605 ] Animation C1 ENERGY= 677.4 kJ/mol
Energy+ZPE= 664.6 kJ/mol ZPE= 0.0446901
CONNECTIONS:
o EQ176 o EQ183
[ TS1606 ] Animation C1 ENERGY= 681.7 kJ/mol
Energy+ZPE= 669.3 kJ/mol ZPE= 0.0448124
CONNECTIONS:
o EQ176 o EQ183
[ TS1607 ] Animation C1 ENERGY= 1151.4 kJ/mol
Energy+ZPE= 1125.4 kJ/mol ZPE= 0.0396563
CONNECTIONS:
o EQ176 o EQ492
[ TS1608 ] Animation C1 ENERGY= 935.9 kJ/mol
Energy+ZPE= 916.5 kJ/mol ZPE= 0.0421664
CONNECTIONS:
o EQ176 o DDC459
[ TS1609 ] Animation Cs ENERGY= 650.0 kJ/mol
Energy+ZPE= 639.4 kJ/mol ZPE= 0.0455212
CONNECTIONS:
o EQ177 o EQ177
[ TS1610 ] Animation C1 ENERGY= 675.3 kJ/mol
Energy+ZPE= 662.0 kJ/mol ZPE= 0.0444884
CONNECTIONS:
o EQ177 o EQ181
[ TS1611 ] Animation Cs ENERGY= 1255.8 kJ/mol
Energy+ZPE= 1227.0 kJ/mol ZPE= 0.0385760
CONNECTIONS:
o EQ177 o EQ512
[ TS1612 ] Animation Cs ENERGY= 655.5 kJ/mol
Energy+ZPE= 644.9 kJ/mol ZPE= 0.0454995
CONNECTIONS:
o EQ178 o EQ178
[ TS1613 ] Animation C1 ENERGY= 667.9 kJ/mol
Energy+ZPE= 655.6 kJ/mol ZPE= 0.0448599
CONNECTIONS:
o EQ178 o EQ181
[ TS1614 ] Animation C1 ENERGY= 817.2 kJ/mol
Energy+ZPE= 801.1 kJ/mol ZPE= 0.0434224
CONNECTIONS:
o EQ178 o EQ267
[ TS1615 ] Animation C1 ENERGY= 826.8 kJ/mol
Energy+ZPE= 810.4 kJ/mol ZPE= 0.0432843
CONNECTIONS:
o EQ178 o EQ277
[ TS1616 ] Animation C1 ENERGY= 827.9 kJ/mol
Energy+ZPE= 812.3 kJ/mol ZPE= 0.0435963
CONNECTIONS:
o EQ178 o EQ277
[ TS1617 ] Animation C1 ENERGY= 775.9 kJ/mol
Energy+ZPE= 762.5 kJ/mol ZPE= 0.0444304
CONNECTIONS:
o EQ178 o EQ292
[ TS1618 ] Animation C1 ENERGY= 688.7 kJ/mol
Energy+ZPE= 671.4 kJ/mol ZPE= 0.0429491
CONNECTIONS:
o EQ179 o EQ182
[ TS1619 ] Animation C1 ENERGY= 696.5 kJ/mol
Energy+ZPE= 680.3 kJ/mol ZPE= 0.0433791
CONNECTIONS:
o EQ179 o EQ182
[ TS1620 ] Animation C1 ENERGY= 706.4 kJ/mol
Energy+ZPE= 689.5 kJ/mol ZPE= 0.0431203
CONNECTIONS:
o EQ179 o EQ182
[ TS1621 ] Animation C1 ENERGY= 700.4 kJ/mol
Energy+ZPE= 684.0 kJ/mol ZPE= 0.0433085
CONNECTIONS:
o EQ179 o EQ184
[ TS1622 ] Animation C1 ENERGY= 666.4 kJ/mol
Energy+ZPE= 650.4 kJ/mol ZPE= 0.0434571
CONNECTIONS:
o EQ179 o EQ192
[ TS1623 ] Animation C1 ENERGY= 668.9 kJ/mol
Energy+ZPE= 652.8 kJ/mol ZPE= 0.0434177
CONNECTIONS:
o EQ179 o EQ194
[ TS1624 ] Animation C1 ENERGY= 756.0 kJ/mol
Energy+ZPE= 739.0 kJ/mol ZPE= 0.0430894
CONNECTIONS:
o EQ179 o EQ225
[ TS1625 ] Animation C1 ENERGY= 912.8 kJ/mol
Energy+ZPE= 890.8 kJ/mol ZPE= 0.0411655
CONNECTIONS:
o EQ179 o EQ376
[ TS1626 ] Animation C1 ENERGY= 920.6 kJ/mol
Energy+ZPE= 898.5 kJ/mol ZPE= 0.0411175
CONNECTIONS:
o EQ179 o EQ379
[ TS1627 ] Animation C1 ENERGY= 920.5 kJ/mol
Energy+ZPE= 896.9 kJ/mol ZPE= 0.0405687
CONNECTIONS:
o EQ179 o EQ383
[ TS1628 ] Animation C1 ENERGY= 967.9 kJ/mol
Energy+ZPE= 943.2 kJ/mol ZPE= 0.0401559
CONNECTIONS:
o EQ179 o EQ385
[ TS1629 ] Animation C1 ENERGY= 974.8 kJ/mol
Energy+ZPE= 954.6 kJ/mol ZPE= 0.0418680
CONNECTIONS:
o EQ179 o EQ388
[ TS1630 ] Animation C1 ENERGY= 987.5 kJ/mol
Energy+ZPE= 954.1 kJ/mol ZPE= 0.0368209
CONNECTIONS:
o EQ179 o EQ422
[ TS1631 ] Animation C1 ENERGY= 1377.6 kJ/mol
Energy+ZPE= 1346.0 kJ/mol ZPE= 0.0374975
CONNECTIONS:
o EQ179 o EQ561
[ TS1632 ] Animation C1 ENERGY= 722.1 kJ/mol
Energy+ZPE= 698.3 kJ/mol ZPE= 0.0404988
CONNECTIONS:
o EQ179 o DDC460
[ TS1633 ] Animation C1 ENERGY= 806.7 kJ/mol
Energy+ZPE= 780.4 kJ/mol ZPE= 0.0395280
CONNECTIONS:
o EQ179 o DDC461
[ TS1634 ] Animation C1 ENERGY= 927.3 kJ/mol
Energy+ZPE= 903.2 kJ/mol ZPE= 0.0403800
CONNECTIONS:
o EQ179 o DDC462
[ TS1635 ] Animation C1 ENERGY= 931.9 kJ/mol
Energy+ZPE= 907.6 kJ/mol ZPE= 0.0402972
CONNECTIONS:
o EQ179 o DDC463
[ TS1636 ] Animation C1 ENERGY= 1118.4 kJ/mol
Energy+ZPE= 1094.6 kJ/mol ZPE= 0.0404717
CONNECTIONS:
o EQ180 o EQ438
[ TS1637 ] Animation C1 ENERGY= 663.2 kJ/mol
Energy+ZPE= 648.2 kJ/mol ZPE= 0.0438259
CONNECTIONS:
o EQ180 o DDC464
[ TS1638 ] Animation C1 ENERGY= 695.8 kJ/mol
Energy+ZPE= 683.4 kJ/mol ZPE= 0.0448116
CONNECTIONS:
o EQ180 o DDC465
[ TS1639 ] Animation C1 ENERGY= 741.1 kJ/mol
Energy+ZPE= 722.6 kJ/mol ZPE= 0.0424846
CONNECTIONS:
o EQ180 o DDC466
[ TS1640 ] Animation C1 ENERGY= 767.9 kJ/mol
Energy+ZPE= 749.0 kJ/mol ZPE= 0.0423660
CONNECTIONS:
o EQ180 o DDC467
[ TS1641 ] Animation C1 ENERGY= 836.7 kJ/mol
Energy+ZPE= 815.2 kJ/mol ZPE= 0.0413503
CONNECTIONS:
o EQ180 o DDC468
[ TS1642 ] Animation C1 ENERGY= 664.5 kJ/mol
Energy+ZPE= 648.6 kJ/mol ZPE= 0.0435090
CONNECTIONS:
o EQ182 o EQ184
[ TS1643 ] Animation C1 ENERGY= 671.4 kJ/mol
Energy+ZPE= 655.2 kJ/mol ZPE= 0.0433943
CONNECTIONS:
o EQ182 o EQ184
[ TS1644 ] Animation C1 ENERGY= 760.5 kJ/mol
Energy+ZPE= 743.1 kJ/mol ZPE= 0.0429352
CONNECTIONS:
o EQ182 o EQ217
[ TS1645 ] Animation C1 ENERGY= 910.2 kJ/mol
Energy+ZPE= 888.3 kJ/mol ZPE= 0.0412125
CONNECTIONS:
o EQ182 o EQ376
[ TS1646 ] Animation C1 ENERGY= 904.8 kJ/mol
Energy+ZPE= 882.8 kJ/mol ZPE= 0.0411834
CONNECTIONS:
o EQ182 o EQ379
[ TS1647 ] Animation C1 ENERGY= 934.8 kJ/mol
Energy+ZPE= 911.2 kJ/mol ZPE= 0.0405653
CONNECTIONS:
o EQ182 o EQ384
[ TS1648 ] Animation C1 ENERGY= 1364.7 kJ/mol
Energy+ZPE= 1330.1 kJ/mol ZPE= 0.0363665
CONNECTIONS:
o EQ182 o EQ499
[ TS1649 ] Animation C1 ENERGY= 933.8 kJ/mol
Energy+ZPE= 910.6 kJ/mol ZPE= 0.0407216
CONNECTIONS:
o EQ182 o DDC469
[ TS1650 ] Animation C1 ENERGY= 817.8 kJ/mol
Energy+ZPE= 801.1 kJ/mol ZPE= 0.0431996
CONNECTIONS:
o EQ183 o DDC470
[ TS1651 ] Animation Cs ENERGY= 1001.2 kJ/mol
Energy+ZPE= 973.0 kJ/mol ZPE= 0.0387992
CONNECTIONS:
o EQ184 o EQ184
[ TS1652 ] Animation C1 ENERGY= 695.4 kJ/mol
Energy+ZPE= 677.5 kJ/mol ZPE= 0.0427156
CONNECTIONS:
o EQ184 o EQ192
[ TS1653 ] Animation C1 ENERGY= 691.9 kJ/mol
Energy+ZPE= 674.5 kJ/mol ZPE= 0.0429195
CONNECTIONS:
o EQ184 o EQ194
[ TS1654 ] Animation C1 ENERGY= 918.0 kJ/mol
Energy+ZPE= 894.2 kJ/mol ZPE= 0.0404743
CONNECTIONS:
o EQ184 o EQ382
[ TS1655 ] Animation C1 ENERGY= 922.3 kJ/mol
Energy+ZPE= 898.6 kJ/mol ZPE= 0.0405243
CONNECTIONS:
o EQ184 o EQ383
[ TS1656 ] Animation C1 ENERGY= 722.4 kJ/mol
Energy+ZPE= 698.4 kJ/mol ZPE= 0.0404203
CONNECTIONS:
o EQ184 o DDC471
[ TS1657 ] Animation C1 ENERGY= 1011.9 kJ/mol
Energy+ZPE= 985.6 kJ/mol ZPE= 0.0395282
CONNECTIONS:
o EQ184 o DDC472
[ TS1658 ] Animation C1 ENERGY= 1049.1 kJ/mol
Energy+ZPE= 1019.5 kJ/mol ZPE= 0.0382668
CONNECTIONS:
o EQ184 o DDC473
[ TS1659 ] Animation C1 ENERGY= 714.8 kJ/mol
Energy+ZPE= 698.9 kJ/mol ZPE= 0.0434987
CONNECTIONS:
o EQ185 o EQ188
[ TS1660 ] Animation C1 ENERGY= 720.6 kJ/mol
Energy+ZPE= 704.4 kJ/mol ZPE= 0.0433854
CONNECTIONS:
o EQ185 o EQ188
[ TS1661 ] Animation C1 ENERGY= 703.2 kJ/mol
Energy+ZPE= 690.2 kJ/mol ZPE= 0.0445992
CONNECTIONS:
o EQ185 o EQ220
[ TS1662 ] Animation C1 ENERGY= 708.7 kJ/mol
Energy+ZPE= 695.5 kJ/mol ZPE= 0.0445283
CONNECTIONS:
o EQ185 o EQ220
[ TS1663 ] Animation C1 ENERGY= 821.9 kJ/mol
Energy+ZPE= 797.9 kJ/mol ZPE= 0.0404188
CONNECTIONS:
o EQ185 o EQ220
[ TS1664 ] Animation C1 ENERGY= 848.3 kJ/mol
Energy+ZPE= 833.0 kJ/mol ZPE= 0.0437312
CONNECTIONS:
o EQ185 o EQ314
[ TS1665 ] Animation C1 ENERGY= 668.9 kJ/mol
Energy+ZPE= 651.9 kJ/mol ZPE= 0.0430642
CONNECTIONS:
o EQ186 o EQ190
[ TS1666 ] Animation C1 ENERGY= 925.7 kJ/mol
Energy+ZPE= 905.8 kJ/mol ZPE= 0.0419799
CONNECTIONS:
o EQ186 o EQ190
[ TS1667 ] Animation C1 ENERGY= 678.4 kJ/mol
Energy+ZPE= 661.3 kJ/mol ZPE= 0.0430397
CONNECTIONS:
o EQ186 o EQ203
[ TS1668 ] Animation C1 ENERGY= 684.8 kJ/mol
Energy+ZPE= 667.7 kJ/mol ZPE= 0.0430397
CONNECTIONS:
o EQ186 o EQ203
[ TS1669 ] Animation C1 ENERGY= 694.2 kJ/mol
Energy+ZPE= 680.0 kJ/mol ZPE= 0.0441526
CONNECTIONS:
o EQ186 o EQ212
[ TS1670 ] Animation C1 ENERGY= 713.9 kJ/mol
Energy+ZPE= 698.3 kJ/mol ZPE= 0.0436053
CONNECTIONS:
o EQ186 o EQ213
[ TS1671 ] Animation C1 ENERGY= 697.7 kJ/mol
Energy+ZPE= 683.7 kJ/mol ZPE= 0.0442094
CONNECTIONS:
o EQ186 o EQ223
[ TS1672 ] Animation C1 ENERGY= 972.9 kJ/mol
Energy+ZPE= 947.8 kJ/mol ZPE= 0.0400045
CONNECTIONS:
o EQ186 o EQ425
[ TS1673 ] Animation C1 ENERGY= 1114.4 kJ/mol
Energy+ZPE= 1087.3 kJ/mol ZPE= 0.0392421
CONNECTIONS:
o EQ186 o EQ460
[ TS1674 ] Animation C1 ENERGY= 665.7 kJ/mol
Energy+ZPE= 647.5 kJ/mol ZPE= 0.0426096
CONNECTIONS:
o EQ186 o DDC474
[ TS1675 ] Animation C1 ENERGY= 875.6 kJ/mol
Energy+ZPE= 846.6 kJ/mol ZPE= 0.0384900
CONNECTIONS:
o EQ186 o DDC475
[ TS1676 ] Animation C1 ENERGY= 733.4 kJ/mol
Energy+ZPE= 710.7 kJ/mol ZPE= 0.0409087
CONNECTIONS:
o EQ187 o EQ189
[ TS1677 ] Animation C1 ENERGY= 666.0 kJ/mol
Energy+ZPE= 650.6 kJ/mol ZPE= 0.0436808
CONNECTIONS:
o EQ187 o EQ193
[ TS1678 ] Animation Cs ENERGY= 664.5 kJ/mol
Energy+ZPE= 646.9 kJ/mol ZPE= 0.0428418
CONNECTIONS:
o EQ187 o DDC476
[ TS1679 ] Animation C1 ENERGY= 752.1 kJ/mol
Energy+ZPE= 734.6 kJ/mol ZPE= 0.0428960
CONNECTIONS:
o EQ187 o DDC477
[ TS1680 ] Animation C1 ENERGY= 759.8 kJ/mol
Energy+ZPE= 742.5 kJ/mol ZPE= 0.0429644
CONNECTIONS:
o EQ187 o DDC478
[ TS1681 ] Animation C1 ENERGY= 721.2 kJ/mol
Energy+ZPE= 708.1 kJ/mol ZPE= 0.0445433
CONNECTIONS:
o EQ188 o EQ279
[ TS1682 ] Animation C1 ENERGY= 863.1 kJ/mol
Energy+ZPE= 843.6 kJ/mol ZPE= 0.0421331
CONNECTIONS:
o EQ188 o EQ307
[ TS1683 ] Animation C1 ENERGY= 848.4 kJ/mol
Energy+ZPE= 833.2 kJ/mol ZPE= 0.0437418
CONNECTIONS:
o EQ188 o EQ312
[ TS1684 ] Animation C1 ENERGY= 685.5 kJ/mol
Energy+ZPE= 671.6 kJ/mol ZPE= 0.0442341
CONNECTIONS:
o EQ188 o DDC479
[ TS1685 ] Animation C2h ENERGY= 665.3 kJ/mol
Energy+ZPE= 646.0 kJ/mol ZPE= 0.0421935
CONNECTIONS:
o EQ189 o DDC480
[ TS1686 ] Animation C2 ENERGY= 668.3 kJ/mol
Energy+ZPE= 648.9 kJ/mol ZPE= 0.0421760
CONNECTIONS:
o EQ189 o DDC481
[ TS1687 ] Animation C1 ENERGY= 739.8 kJ/mol
Energy+ZPE= 722.2 kJ/mol ZPE= 0.0428540
CONNECTIONS:
o EQ189 o DDC482
[ TS1688 ] Animation C1 ENERGY= 755.6 kJ/mol
Energy+ZPE= 736.2 kJ/mol ZPE= 0.0421600
CONNECTIONS:
o EQ189 o DDC483
[ TS1689 ] Animation C1 ENERGY= 811.2 kJ/mol
Energy+ZPE= 779.8 kJ/mol ZPE= 0.0375745
CONNECTIONS:
o EQ189 o DDC484
[ TS1690 ] Animation C1 ENERGY= 679.1 kJ/mol
Energy+ZPE= 662.6 kJ/mol ZPE= 0.0432785
CONNECTIONS:
o EQ190 o EQ198
[ TS1691 ] Animation C1 ENERGY= 680.7 kJ/mol
Energy+ZPE= 663.7 kJ/mol ZPE= 0.0430839
CONNECTIONS:
o EQ190 o EQ198
[ TS1692 ] Animation C1 ENERGY= 693.0 kJ/mol
Energy+ZPE= 678.4 kJ/mol ZPE= 0.0439955
CONNECTIONS:
o EQ190 o EQ216
[ TS1693 ] Animation C1 ENERGY= 979.9 kJ/mol
Energy+ZPE= 956.8 kJ/mol ZPE= 0.0407368
CONNECTIONS:
o EQ190 o EQ425
[ TS1694 ] Animation C1 ENERGY= 667.1 kJ/mol
Energy+ZPE= 648.6 kJ/mol ZPE= 0.0424938
CONNECTIONS:
o EQ190 o DDC485
[ TS1695 ] Animation Cs ENERGY= 683.3 kJ/mol
Energy+ZPE= 675.2 kJ/mol ZPE= 0.0464760
CONNECTIONS:
o EQ191 o EQ219
[ TS1696 ] Animation C1 ENERGY= 670.4 kJ/mol
Energy+ZPE= 654.1 kJ/mol ZPE= 0.0433430
CONNECTIONS:
o EQ192 o EQ194
[ TS1697 ] Animation C1 ENERGY= 754.9 kJ/mol
Energy+ZPE= 728.3 kJ/mol ZPE= 0.0394287
CONNECTIONS:
o EQ192 o DDC486
[ TS1698 ] Animation C1 ENERGY= 840.1 kJ/mol
Energy+ZPE= 811.8 kJ/mol ZPE= 0.0387584
CONNECTIONS:
o EQ192 o DDC487
[ TS1699 ] Animation C1 ENERGY= 666.0 kJ/mol
Energy+ZPE= 648.8 kJ/mol ZPE= 0.0429950
CONNECTIONS:
o EQ193 o DDC488
[ TS1700 ] Animation C1 ENERGY= 760.4 kJ/mol
Energy+ZPE= 743.1 kJ/mol ZPE= 0.0429641
CONNECTIONS:
o EQ193 o DDC489
[ TS1701 ] Animation C1 ENERGY= 805.0 kJ/mol
Energy+ZPE= 776.3 kJ/mol ZPE= 0.0386093
CONNECTIONS:
o EQ193 o DDC490
[ TS1702 ] Animation Cs ENERGY= 995.3 kJ/mol
Energy+ZPE= 961.9 kJ/mol ZPE= 0.0368296
CONNECTIONS:
o EQ195 o EQ195
[ TS1703 ] Animation C1 ENERGY= 707.0 kJ/mol
Energy+ZPE= 687.1 kJ/mol ZPE= 0.0419668
CONNECTIONS:
o EQ195 o EQ196
[ TS1704 ] Animation C1 ENERGY= 767.3 kJ/mol
Energy+ZPE= 743.0 kJ/mol ZPE= 0.0403099
CONNECTIONS:
o EQ195 o EQ205
[ TS1705 ] Animation C1 ENERGY= 1003.3 kJ/mol
Energy+ZPE= 984.0 kJ/mol ZPE= 0.0421950
CONNECTIONS:
o EQ195 o EQ206
[ TS1706 ] Animation C1 ENERGY= 699.7 kJ/mol
Energy+ZPE= 679.5 kJ/mol ZPE= 0.0418585
CONNECTIONS:
o EQ195 o EQ210
[ TS1707 ] Animation C1 ENERGY= 811.7 kJ/mol
Energy+ZPE= 791.8 kJ/mol ZPE= 0.0419736
CONNECTIONS:
o EQ195 o EQ253
[ TS1708 ] Animation C1 ENERGY= 822.0 kJ/mol
Energy+ZPE= 801.7 kJ/mol ZPE= 0.0418135
CONNECTIONS:
o EQ195 o EQ265
[ TS1709 ] Animation C1 ENERGY= 997.6 kJ/mol
Energy+ZPE= 969.4 kJ/mol ZPE= 0.0388065
CONNECTIONS:
o EQ195 o EQ398
[ TS1710 ] Animation C1 ENERGY= 992.9 kJ/mol
Energy+ZPE= 972.2 kJ/mol ZPE= 0.0416705
CONNECTIONS:
o EQ195 o EQ428
[ TS1711 ] Animation C1 ENERGY= 767.2 kJ/mol
Energy+ZPE= 733.4 kJ/mol ZPE= 0.0366780
CONNECTIONS:
o EQ195 o DDC491
[ TS1712 ] Animation Cs ENERGY= 778.2 kJ/mol
Energy+ZPE= 751.5 kJ/mol ZPE= 0.0393677
CONNECTIONS:
o EQ195 o DDC492
[ TS1713 ] Animation C1 ENERGY= 765.8 kJ/mol
Energy+ZPE= 740.0 kJ/mol ZPE= 0.0397196
CONNECTIONS:
o EQ196 o EQ221
[ TS1714 ] Animation Cs ENERGY= 671.7 kJ/mol
Energy+ZPE= 649.1 kJ/mol ZPE= 0.0409272
CONNECTIONS:
o EQ196 o DDC493
[ TS1715 ] Animation C1 ENERGY= 679.5 kJ/mol
Energy+ZPE= 658.0 kJ/mol ZPE= 0.0413413
CONNECTIONS:
o EQ196 o DDC494
[ TS1716 ] Animation Cs ENERGY= 708.9 kJ/mol
Energy+ZPE= 683.6 kJ/mol ZPE= 0.0399065
CONNECTIONS:
o EQ196 o DDC495
[ TS1717 ] Animation C1 ENERGY= 719.9 kJ/mol
Energy+ZPE= 697.3 kJ/mol ZPE= 0.0409334
CONNECTIONS:
o EQ196 o DDC496
[ TS1718 ] Animation C1 ENERGY= 681.8 kJ/mol
Energy+ZPE= 664.3 kJ/mol ZPE= 0.0428821
CONNECTIONS:
o EQ197 o EQ205
[ TS1719 ] Animation C1 ENERGY= 705.0 kJ/mol
Energy+ZPE= 686.9 kJ/mol ZPE= 0.0426651
CONNECTIONS:
o EQ197 o EQ221
[ TS1720 ] Animation C1 ENERGY= 813.8 kJ/mol
Energy+ZPE= 795.8 kJ/mol ZPE= 0.0426948
CONNECTIONS:
o EQ197 o EQ256
[ TS1721 ] Animation C1 ENERGY= 819.5 kJ/mol
Energy+ZPE= 801.5 kJ/mol ZPE= 0.0426962
CONNECTIONS:
o EQ197 o EQ266
[ TS1722 ] Animation C1 ENERGY= 824.5 kJ/mol
Energy+ZPE= 805.8 kJ/mol ZPE= 0.0424083
CONNECTIONS:
o EQ197 o EQ275
[ TS1723 ] Animation C1 ENERGY= 830.6 kJ/mol
Energy+ZPE= 811.7 kJ/mol ZPE= 0.0423636
CONNECTIONS:
o EQ197 o EQ283
[ TS1724 ] Animation C1 ENERGY= 1002.0 kJ/mol
Energy+ZPE= 975.6 kJ/mol ZPE= 0.0395023
CONNECTIONS:
o EQ197 o EQ403
[ TS1725 ] Animation C1 ENERGY= 1024.4 kJ/mol
Energy+ZPE= 1003.3 kJ/mol ZPE= 0.0415011
CONNECTIONS:
o EQ197 o EQ403
[ TS1726 ] Animation C1 ENERGY= 1001.6 kJ/mol
Energy+ZPE= 983.8 kJ/mol ZPE= 0.0427534
CONNECTIONS:
o EQ197 o EQ418
[ TS1727 ] Animation C1 ENERGY= 699.9 kJ/mol
Energy+ZPE= 681.6 kJ/mol ZPE= 0.0425814
CONNECTIONS:
o EQ197 o DDC497
[ TS1728 ] Animation C1 ENERGY= 739.6 kJ/mol
Energy+ZPE= 720.3 kJ/mol ZPE= 0.0421934
CONNECTIONS:
o EQ197 o DDC498
[ TS1729 ] Animation Cs ENERGY= 770.0 kJ/mol
Energy+ZPE= 746.7 kJ/mol ZPE= 0.0406700
CONNECTIONS:
o EQ197 o DDC499
[ TS1730 ] Animation Cs ENERGY= 776.9 kJ/mol
Energy+ZPE= 751.8 kJ/mol ZPE= 0.0399786
CONNECTIONS:
o EQ197 o DDC500
[ TS1731 ] Animation C1 ENERGY= 680.9 kJ/mol
Energy+ZPE= 663.2 kJ/mol ZPE= 0.0427928
CONNECTIONS:
o EQ198 o EQ203
[ TS1732 ] Animation C1 ENERGY= 702.7 kJ/mol
Energy+ZPE= 688.1 kJ/mol ZPE= 0.0439949
CONNECTIONS:
o EQ198 o EQ218
[ TS1733 ] Animation C1 ENERGY= 936.1 kJ/mol
Energy+ZPE= 912.7 kJ/mol ZPE= 0.0406321
CONNECTIONS:
o EQ198 o EQ390
[ TS1734 ] Animation C1 ENERGY= 679.7 kJ/mol
Energy+ZPE= 660.2 kJ/mol ZPE= 0.0421032
CONNECTIONS:
o EQ198 o DDC501
[ TS1735 ] Animation C1 ENERGY= 920.5 kJ/mol
Energy+ZPE= 899.4 kJ/mol ZPE= 0.0415187
CONNECTIONS:
o EQ198 o DDC502
[ TS1736 ] Animation C1 ENERGY= 762.0 kJ/mol
Energy+ZPE= 743.9 kJ/mol ZPE= 0.0426481
CONNECTIONS:
o EQ199 o EQ207
[ TS1737 ] Animation Cs ENERGY= 798.7 kJ/mol
Energy+ZPE= 781.2 kJ/mol ZPE= 0.0428776
CONNECTIONS:
o EQ199 o EQ214
[ TS1738 ] Animation C1 ENERGY= 740.3 kJ/mol
Energy+ZPE= 724.9 kJ/mol ZPE= 0.0436874
CONNECTIONS:
o EQ199 o EQ286
[ TS1739 ] Animation C1 ENERGY= 1040.9 kJ/mol
Energy+ZPE= 1009.6 kJ/mol ZPE= 0.0376069
CONNECTIONS:
o EQ199 o EQ398
[ TS1740 ] Animation Cs ENERGY= 685.7 kJ/mol
Energy+ZPE= 671.2 kJ/mol ZPE= 0.0440136
CONNECTIONS:
o EQ200 o EQ200
[ TS1741 ] Animation C1 ENERGY= 682.9 kJ/mol
Energy+ZPE= 668.6 kJ/mol ZPE= 0.0441115
CONNECTIONS:
o EQ200 o EQ211
[ TS1742 ] Animation C1 ENERGY= 780.0 kJ/mol
Energy+ZPE= 759.4 kJ/mol ZPE= 0.0416989
CONNECTIONS:
o EQ200 o EQ243
[ TS1743 ] Animation C1 ENERGY= 850.2 kJ/mol
Energy+ZPE= 833.4 kJ/mol ZPE= 0.0431342
CONNECTIONS:
o EQ200 o EQ328
[ TS1744 ] Animation C1 ENERGY= 689.8 kJ/mol
Energy+ZPE= 673.8 kJ/mol ZPE= 0.0434625
CONNECTIONS:
o EQ200 o DDC503
[ TS1745 ] Animation C1 ENERGY= 697.8 kJ/mol
Energy+ZPE= 681.2 kJ/mol ZPE= 0.0432322
CONNECTIONS:
o EQ200 o DDC504
[ TS1746 ] Animation C1 ENERGY= 851.5 kJ/mol
Energy+ZPE= 833.6 kJ/mol ZPE= 0.0427226
CONNECTIONS:
o EQ200 o DDC505
[ TS1747 ] Animation C1 ENERGY= 853.3 kJ/mol
Energy+ZPE= 834.7 kJ/mol ZPE= 0.0424575
CONNECTIONS:
o EQ200 o DDC506
[ TS1748 ] Animation C1 ENERGY= 680.2 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0443356
CONNECTIONS:
o EQ201 o EQ204
[ TS1749 ] Animation C1 ENERGY= 685.3 kJ/mol
Energy+ZPE= 671.2 kJ/mol ZPE= 0.0441752
CONNECTIONS:
o EQ201 o EQ204
[ TS1750 ] Animation C1 ENERGY= 680.6 kJ/mol
Energy+ZPE= 666.7 kJ/mol ZPE= 0.0442703
CONNECTIONS:
o EQ201 o DDC507
[ TS1751 ] Animation C1 ENERGY= 684.9 kJ/mol
Energy+ZPE= 673.2 kJ/mol ZPE= 0.0450783
CONNECTIONS:
o EQ202 o EQ222
[ TS1752 ] Animation C1 ENERGY= 685.1 kJ/mol
Energy+ZPE= 673.6 kJ/mol ZPE= 0.0451651
CONNECTIONS:
o EQ202 o EQ222
[ TS1753 ] Animation C1 ENERGY= 693.1 kJ/mol
Energy+ZPE= 681.3 kJ/mol ZPE= 0.0450608
CONNECTIONS:
o EQ202 o EQ227
[ TS1754 ] Animation C1 ENERGY= 1010.1 kJ/mol
Energy+ZPE= 993.9 kJ/mol ZPE= 0.0433670
CONNECTIONS:
o EQ202 o EQ389
[ TS1755 ] Animation C1 ENERGY= 994.6 kJ/mol
Energy+ZPE= 972.2 kJ/mol ZPE= 0.0410277
CONNECTIONS:
o EQ202 o DDC508
[ TS1756 ] Animation C1 ENERGY= 942.7 kJ/mol
Energy+ZPE= 918.3 kJ/mol ZPE= 0.0402391
CONNECTIONS:
o EQ203 o EQ391
[ TS1757 ] Animation C1 ENERGY= 680.3 kJ/mol
Energy+ZPE= 661.2 kJ/mol ZPE= 0.0422583
CONNECTIONS:
o EQ203 o DDC509
[ TS1758 ] Animation Cs ENERGY= 992.6 kJ/mol
Energy+ZPE= 961.3 kJ/mol ZPE= 0.0376215
CONNECTIONS:
o EQ205 o EQ205
[ TS1759 ] Animation C1 ENERGY= 985.7 kJ/mol
Energy+ZPE= 967.4 kJ/mol ZPE= 0.0425941
CONNECTIONS:
o EQ205 o EQ424
[ TS1760 ] Animation Cs ENERGY= 780.2 kJ/mol
Energy+ZPE= 754.4 kJ/mol ZPE= 0.0397322
CONNECTIONS:
o EQ205 o DDC510
[ TS1761 ] Animation C1 ENERGY= 867.7 kJ/mol
Energy+ZPE= 842.2 kJ/mol ZPE= 0.0398297
CONNECTIONS:
o EQ205 o DDC511
[ TS1762 ] Animation C1 ENERGY= 697.9 kJ/mol
Energy+ZPE= 686.5 kJ/mol ZPE= 0.0451934
CONNECTIONS:
o EQ206 o EQ215
[ TS1763 ] Animation C1 ENERGY= 699.1 kJ/mol
Energy+ZPE= 687.0 kJ/mol ZPE= 0.0449256
CONNECTIONS:
o EQ206 o EQ215
[ TS1764 ] Animation C1 ENERGY= 823.6 kJ/mol
Energy+ZPE= 799.7 kJ/mol ZPE= 0.0404279
CONNECTIONS:
o EQ206 o EQ215
[ TS1765 ] Animation C1 ENERGY= 825.4 kJ/mol
Energy+ZPE= 807.1 kJ/mol ZPE= 0.0425905
CONNECTIONS:
o EQ206 o EQ216
[ TS1766 ] Animation C1 ENERGY= 840.9 kJ/mol
Energy+ZPE= 825.9 kJ/mol ZPE= 0.0438395
CONNECTIONS:
o EQ206 o EQ313
[ TS1767 ] Animation C1 ENERGY= 910.3 kJ/mol
Energy+ZPE= 891.1 kJ/mol ZPE= 0.0422325
CONNECTIONS:
o EQ206 o EQ314
[ TS1768 ] Animation C1 ENERGY= 731.5 kJ/mol
Energy+ZPE= 713.9 kJ/mol ZPE= 0.0428479
CONNECTIONS:
o EQ206 o DDC512
[ TS1769 ] Animation Cs ENERGY= 799.4 kJ/mol
Energy+ZPE= 783.7 kJ/mol ZPE= 0.0435486
CONNECTIONS:
o EQ207 o EQ209
[ TS1770 ] Animation C1 ENERGY= 732.7 kJ/mol
Energy+ZPE= 719.8 kJ/mol ZPE= 0.0446218
CONNECTIONS:
o EQ207 o EQ254
[ TS1771 ] Animation Cs ENERGY= 885.6 kJ/mol
Energy+ZPE= 868.4 kJ/mol ZPE= 0.0430068
CONNECTIONS:
o EQ207 o EQ293
[ TS1772 ] Animation C1 ENERGY= 1044.8 kJ/mol
Energy+ZPE= 1015.1 kJ/mol ZPE= 0.0382441
CONNECTIONS:
o EQ207 o EQ403
[ TS1773 ] Animation C1 ENERGY= 730.2 kJ/mol
Energy+ZPE= 711.7 kJ/mol ZPE= 0.0424840
CONNECTIONS:
o EQ208 o EQ258
[ TS1774 ] Animation C1 ENERGY= 683.4 kJ/mol
Energy+ZPE= 667.5 kJ/mol ZPE= 0.0434886
CONNECTIONS:
o EQ208 o DDC513
[ TS1775 ] Animation C1 ENERGY= 684.0 kJ/mol
Energy+ZPE= 666.4 kJ/mol ZPE= 0.0428380
CONNECTIONS:
o EQ208 o DDC514
[ TS1776 ] Animation C1 ENERGY= 694.0 kJ/mol
Energy+ZPE= 675.7 kJ/mol ZPE= 0.0425731
CONNECTIONS:
o EQ208 o DDC515
[ TS1777 ] Animation C1 ENERGY= 732.0 kJ/mol
Energy+ZPE= 715.3 kJ/mol ZPE= 0.0431864
CONNECTIONS:
o EQ208 o DDC516
[ TS1778 ] Animation C1 ENERGY= 762.9 kJ/mol
Energy+ZPE= 743.8 kJ/mol ZPE= 0.0422581
CONNECTIONS:
o EQ209 o EQ214
[ TS1779 ] Animation C1 ENERGY= 703.6 kJ/mol
Energy+ZPE= 690.5 kJ/mol ZPE= 0.0445708
CONNECTIONS:
o EQ209 o EQ244
[ TS1780 ] Animation C1 ENERGY= 737.9 kJ/mol
Energy+ZPE= 723.7 kJ/mol ZPE= 0.0441279
CONNECTIONS:
o EQ209 o EQ252
[ TS1781 ] Animation Cs ENERGY= 799.7 kJ/mol
Energy+ZPE= 775.7 kJ/mol ZPE= 0.0404022
CONNECTIONS:
o EQ209 o EQ256
[ TS1782 ] Animation C1 ENERGY= 1452.1 kJ/mol
Energy+ZPE= 1422.6 kJ/mol ZPE= 0.0383033
CONNECTIONS:
o EQ209 o EQ566
[ TS1783 ] Animation C1 ENERGY= 766.0 kJ/mol
Energy+ZPE= 742.7 kJ/mol ZPE= 0.0406839
CONNECTIONS:
o EQ210 o EQ229
[ TS1784 ] Animation C1 ENERGY= 826.2 kJ/mol
Energy+ZPE= 804.7 kJ/mol ZPE= 0.0413630
CONNECTIONS:
o EQ210 o EQ270
[ TS1785 ] Animation C1 ENERGY= 814.0 kJ/mol
Energy+ZPE= 795.4 kJ/mol ZPE= 0.0424729
CONNECTIONS:
o EQ210 o EQ282
[ TS1786 ] Animation C1 ENERGY= 686.7 kJ/mol
Energy+ZPE= 667.3 kJ/mol ZPE= 0.0421462
CONNECTIONS:
o EQ210 o DDC517
[ TS1787 ] Animation Cs ENERGY= 711.6 kJ/mol
Energy+ZPE= 684.8 kJ/mol ZPE= 0.0393302
CONNECTIONS:
o EQ210 o DDC518
[ TS1788 ] Animation C1 ENERGY= 810.0 kJ/mol
Energy+ZPE= 790.2 kJ/mol ZPE= 0.0419961
CONNECTIONS:
o EQ210 o DDC519
[ TS1789 ] Animation C1 ENERGY= 776.7 kJ/mol
Energy+ZPE= 756.3 kJ/mol ZPE= 0.0417895
CONNECTIONS:
o EQ211 o EQ226
[ TS1790 ] Animation C1 ENERGY= 702.5 kJ/mol
Energy+ZPE= 685.7 kJ/mol ZPE= 0.0431345
CONNECTIONS:
o EQ211 o EQ234
[ TS1791 ] Animation C1 ENERGY= 1029.3 kJ/mol
Energy+ZPE= 1004.6 kJ/mol ZPE= 0.0401561
CONNECTIONS:
o EQ212 o EQ218
[ TS1792 ] Animation C1 ENERGY= 685.3 kJ/mol
Energy+ZPE= 669.6 kJ/mol ZPE= 0.0435864
CONNECTIONS:
o EQ212 o EQ224
[ TS1793 ] Animation C1 ENERGY= 690.0 kJ/mol
Energy+ZPE= 674.6 kJ/mol ZPE= 0.0436639
CONNECTIONS:
o EQ212 o EQ233
[ TS1794 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 676.6 kJ/mol ZPE= 0.0436477
CONNECTIONS:
o EQ212 o EQ233
[ TS1795 ] Animation C1 ENERGY= 864.3 kJ/mol
Energy+ZPE= 848.7 kJ/mol ZPE= 0.0436201
CONNECTIONS:
o EQ212 o EQ313
[ TS1796 ] Animation C1 ENERGY= 699.6 kJ/mol
Energy+ZPE= 680.2 kJ/mol ZPE= 0.0421765
CONNECTIONS:
o EQ212 o DDC520
[ TS1797 ] Animation Cs ENERGY= 1035.6 kJ/mol
Energy+ZPE= 1010.6 kJ/mol ZPE= 0.0400301
CONNECTIONS:
o EQ213 o EQ213
[ TS1798 ] Animation C1 ENERGY= 683.6 kJ/mol
Energy+ZPE= 667.6 kJ/mol ZPE= 0.0434524
CONNECTIONS:
o EQ213 o EQ216
[ TS1799 ] Animation C1 ENERGY= 686.2 kJ/mol
Energy+ZPE= 670.3 kJ/mol ZPE= 0.0434740
CONNECTIONS:
o EQ213 o EQ218
[ TS1800 ] Animation C1 ENERGY= 692.7 kJ/mol
Energy+ZPE= 676.9 kJ/mol ZPE= 0.0435362
CONNECTIONS:
o EQ213 o EQ218
[ TS1801 ] Animation C1 ENERGY= 687.6 kJ/mol
Energy+ZPE= 671.1 kJ/mol ZPE= 0.0432659
CONNECTIONS:
o EQ213 o EQ224
[ TS1802 ] Animation C1 ENERGY= 854.9 kJ/mol
Energy+ZPE= 839.4 kJ/mol ZPE= 0.0436497
CONNECTIONS:
o EQ213 o EQ313
[ TS1803 ] Animation C1 ENERGY= 693.7 kJ/mol
Energy+ZPE= 674.5 kJ/mol ZPE= 0.0422292
CONNECTIONS:
o EQ213 o DDC521
[ TS1804 ] Animation C1 ENERGY= 704.7 kJ/mol
Energy+ZPE= 689.7 kJ/mol ZPE= 0.0438414
CONNECTIONS:
o EQ214 o EQ248
[ TS1805 ] Animation Cs ENERGY= 801.2 kJ/mol
Energy+ZPE= 775.2 kJ/mol ZPE= 0.0396613
CONNECTIONS:
o EQ214 o EQ253
[ TS1806 ] Animation C1 ENERGY= 746.8 kJ/mol
Energy+ZPE= 730.1 kJ/mol ZPE= 0.0432035
CONNECTIONS:
o EQ214 o EQ287
[ TS1807 ] Animation C1 ENERGY= 797.1 kJ/mol
Energy+ZPE= 769.5 kJ/mol ZPE= 0.0390246
CONNECTIONS:
o EQ214 o DDC522
[ TS1808 ] Animation C1 ENERGY= 802.6 kJ/mol
Energy+ZPE= 774.0 kJ/mol ZPE= 0.0386419
CONNECTIONS:
o EQ214 o DDC523
[ TS1809 ] Animation C1 ENERGY= 727.3 kJ/mol
Energy+ZPE= 710.3 kJ/mol ZPE= 0.0430646
CONNECTIONS:
o EQ215 o EQ257
[ TS1810 ] Animation C1 ENERGY= 729.3 kJ/mol
Energy+ZPE= 712.0 kJ/mol ZPE= 0.0429490
CONNECTIONS:
o EQ215 o EQ257
[ TS1811 ] Animation C1 ENERGY= 831.6 kJ/mol
Energy+ZPE= 817.2 kJ/mol ZPE= 0.0440743
CONNECTIONS:
o EQ215 o EQ313
[ TS1812 ] Animation C1 ENERGY= 900.6 kJ/mol
Energy+ZPE= 882.3 kJ/mol ZPE= 0.0425879
CONNECTIONS:
o EQ215 o EQ314
[ TS1813 ] Animation C1 ENERGY= 701.5 kJ/mol
Energy+ZPE= 684.5 kJ/mol ZPE= 0.0430844
CONNECTIONS:
o EQ216 o EQ224
[ TS1814 ] Animation C1 ENERGY= 690.4 kJ/mol
Energy+ZPE= 674.3 kJ/mol ZPE= 0.0433963
CONNECTIONS:
o EQ216 o EQ235
[ TS1815 ] Animation C1 ENERGY= 885.7 kJ/mol
Energy+ZPE= 856.1 kJ/mol ZPE= 0.0382896
CONNECTIONS:
o EQ216 o DDC524
[ TS1816 ] Animation Cs ENERGY= 796.3 kJ/mol
Energy+ZPE= 780.0 kJ/mol ZPE= 0.0433412
CONNECTIONS:
o EQ217 o EQ217
[ TS1817 ] Animation C1 ENERGY= 698.3 kJ/mol
Energy+ZPE= 688.3 kJ/mol ZPE= 0.0457316
CONNECTIONS:
o EQ217 o EQ230
[ TS1818 ] Animation C1 ENERGY= 715.5 kJ/mol
Energy+ZPE= 702.5 kJ/mol ZPE= 0.0445906
CONNECTIONS:
o EQ217 o EQ237
[ TS1819 ] Animation C1 ENERGY= 716.9 kJ/mol
Energy+ZPE= 706.6 kJ/mol ZPE= 0.0456216
CONNECTIONS:
o EQ217 o EQ239
[ TS1820 ] Animation C1 ENERGY= 1047.3 kJ/mol
Energy+ZPE= 1029.8 kJ/mol ZPE= 0.0428812
CONNECTIONS:
o EQ217 o EQ447
[ TS1821 ] Animation C1 ENERGY= 1073.1 kJ/mol
Energy+ZPE= 1057.1 kJ/mol ZPE= 0.0434345
CONNECTIONS:
o EQ217 o EQ447
[ TS1822 ] Animation C1 ENERGY= 1018.7 kJ/mol
Energy+ZPE= 1004.4 kJ/mol ZPE= 0.0441074
CONNECTIONS:
o EQ217 o EQ449
[ TS1823 ] Animation C1 ENERGY= 1064.6 kJ/mol
Energy+ZPE= 1045.7 kJ/mol ZPE= 0.0423599
CONNECTIONS:
o EQ217 o EQ459
[ TS1824 ] Animation C1 ENERGY= 801.1 kJ/mol
Energy+ZPE= 782.1 kJ/mol ZPE= 0.0423099
CONNECTIONS:
o EQ217 o DDC525
[ TS1825 ] Animation C1 ENERGY= 690.5 kJ/mol
Energy+ZPE= 673.5 kJ/mol ZPE= 0.0430733
CONNECTIONS:
o EQ218 o EQ223
[ TS1826 ] Animation C1 ENERGY= 711.0 kJ/mol
Energy+ZPE= 693.1 kJ/mol ZPE= 0.0427326
CONNECTIONS:
o EQ218 o EQ223
[ TS1827 ] Animation C1 ENERGY= 692.3 kJ/mol
Energy+ZPE= 675.7 kJ/mol ZPE= 0.0432118
CONNECTIONS:
o EQ218 o EQ233
[ TS1828 ] Animation C1 ENERGY= 690.5 kJ/mol
Energy+ZPE= 674.0 kJ/mol ZPE= 0.0432591
CONNECTIONS:
o EQ218 o EQ235
[ TS1829 ] Animation C1 ENERGY= 689.3 kJ/mol
Energy+ZPE= 673.3 kJ/mol ZPE= 0.0434393
CONNECTIONS:
o EQ218 o EQ236
[ TS1830 ] Animation C1 ENERGY= 850.7 kJ/mol
Energy+ZPE= 835.5 kJ/mol ZPE= 0.0437678
CONNECTIONS:
o EQ218 o EQ307
[ TS1831 ] Animation C1 ENERGY= 1116.1 kJ/mol
Energy+ZPE= 1089.7 kJ/mol ZPE= 0.0394907
CONNECTIONS:
o EQ218 o EQ475
[ TS1832 ] Animation C1 ENERGY= 692.0 kJ/mol
Energy+ZPE= 673.6 kJ/mol ZPE= 0.0425345
CONNECTIONS:
o EQ218 o DDC526
[ TS1833 ] Animation C1 ENERGY= 1109.3 kJ/mol
Energy+ZPE= 1078.8 kJ/mol ZPE= 0.0379399
CONNECTIONS:
o EQ218 o DDC527
[ TS1834 ] Animation C1 ENERGY= 744.1 kJ/mol
Energy+ZPE= 729.7 kJ/mol ZPE= 0.0440760
CONNECTIONS:
o EQ219 o DDC528
[ TS1835 ] Animation C1 ENERGY= 823.9 kJ/mol
Energy+ZPE= 796.5 kJ/mol ZPE= 0.0391264
CONNECTIONS:
o EQ220 o EQ220
[ TS1836 ] Animation C1 ENERGY= 833.3 kJ/mol
Energy+ZPE= 814.8 kJ/mol ZPE= 0.0424831
CONNECTIONS:
o EQ220 o EQ224
[ TS1837 ] Animation C1 ENERGY= 732.4 kJ/mol
Energy+ZPE= 716.5 kJ/mol ZPE= 0.0434770
CONNECTIONS:
o EQ220 o EQ279
[ TS1838 ] Animation C1 ENERGY= 868.9 kJ/mol
Energy+ZPE= 852.4 kJ/mol ZPE= 0.0432525
CONNECTIONS:
o EQ220 o EQ321
[ TS1839 ] Animation C1 ENERGY= 736.6 kJ/mol
Energy+ZPE= 711.0 kJ/mol ZPE= 0.0398010
CONNECTIONS:
o EQ220 o DDC529
[ TS1840 ] Animation C1 ENERGY= 740.8 kJ/mol
Energy+ZPE= 714.8 kJ/mol ZPE= 0.0396372
CONNECTIONS:
o EQ220 o DDC530
[ TS1841 ] Animation C1 ENERGY= 684.4 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0427345
CONNECTIONS:
o EQ221 o EQ221
[ TS1842 ] Animation C1 ENERGY= 692.9 kJ/mol
Energy+ZPE= 673.6 kJ/mol ZPE= 0.0422039
CONNECTIONS:
o EQ221 o EQ238
[ TS1843 ] Animation C1 ENERGY= 1005.5 kJ/mol
Energy+ZPE= 973.7 kJ/mol ZPE= 0.0374225
CONNECTIONS:
o EQ221 o EQ238
[ TS1844 ] Animation C1 ENERGY= 696.1 kJ/mol
Energy+ZPE= 676.8 kJ/mol ZPE= 0.0421977
CONNECTIONS:
o EQ221 o EQ246
[ TS1845 ] Animation C1 ENERGY= 826.5 kJ/mol
Energy+ZPE= 807.3 kJ/mol ZPE= 0.0422496
CONNECTIONS:
o EQ221 o EQ266
[ TS1846 ] Animation C1 ENERGY= 1019.4 kJ/mol
Energy+ZPE= 989.0 kJ/mol ZPE= 0.0379595
CONNECTIONS:
o EQ221 o EQ275
[ TS1847 ] Animation C1 ENERGY= 1017.1 kJ/mol
Energy+ZPE= 990.1 kJ/mol ZPE= 0.0392606
CONNECTIONS:
o EQ221 o EQ418
[ TS1848 ] Animation C1 ENERGY= 1017.5 kJ/mol
Energy+ZPE= 990.3 kJ/mol ZPE= 0.0391992
CONNECTIONS:
o EQ221 o EQ418
[ TS1849 ] Animation C1 ENERGY= 1000.2 kJ/mol
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0422948
CONNECTIONS:
o EQ221 o EQ433
[ TS1850 ] Animation C1 ENERGY= 1032.0 kJ/mol
Energy+ZPE= 1010.8 kJ/mol ZPE= 0.0414538
CONNECTIONS:
o EQ221 o EQ433
[ TS1851 ] Animation C1 ENERGY= 716.9 kJ/mol
Energy+ZPE= 691.8 kJ/mol ZPE= 0.0399855
CONNECTIONS:
o EQ221 o DDC531
[ TS1852 ] Animation C1 ENERGY= 824.9 kJ/mol
Energy+ZPE= 793.9 kJ/mol ZPE= 0.0377331
CONNECTIONS:
o EQ221 o DDC532
[ TS1853 ] Animation C1 ENERGY= 686.2 kJ/mol
Energy+ZPE= 674.7 kJ/mol ZPE= 0.0451801
CONNECTIONS:
o EQ222 o EQ227
[ TS1854 ] Animation C1 ENERGY= 1034.3 kJ/mol
Energy+ZPE= 1015.0 kJ/mol ZPE= 0.0421878
CONNECTIONS:
o EQ222 o EQ388
[ TS1855 ] Animation C1 ENERGY= 689.7 kJ/mol
Energy+ZPE= 673.5 kJ/mol ZPE= 0.0433742
CONNECTIONS:
o EQ223 o EQ233
[ TS1856 ] Animation C1 ENERGY= 1015.6 kJ/mol
Energy+ZPE= 997.1 kJ/mol ZPE= 0.0425003
CONNECTIONS:
o EQ223 o EQ390
[ TS1857 ] Animation C1 ENERGY= 1119.0 kJ/mol
Energy+ZPE= 1092.3 kJ/mol ZPE= 0.0393658
CONNECTIONS:
o EQ223 o EQ472
[ TS1858 ] Animation C1 ENERGY= 872.7 kJ/mol
Energy+ZPE= 852.6 kJ/mol ZPE= 0.0419060
CONNECTIONS:
o EQ223 o DDC533
[ TS1859 ] Animation C1 ENERGY= 915.2 kJ/mol
Energy+ZPE= 890.2 kJ/mol ZPE= 0.0400072
CONNECTIONS:
o EQ223 o DDC534
[ TS1860 ] Animation C1 ENERGY= 709.7 kJ/mol
Energy+ZPE= 696.7 kJ/mol ZPE= 0.0445788
CONNECTIONS:
o EQ225 o EQ230
[ TS1861 ] Animation C1 ENERGY= 691.8 kJ/mol
Energy+ZPE= 681.2 kJ/mol ZPE= 0.0454966
CONNECTIONS:
o EQ225 o EQ231
[ TS1862 ] Animation C1 ENERGY= 713.2 kJ/mol
Energy+ZPE= 703.0 kJ/mol ZPE= 0.0456544
CONNECTIONS:
o EQ225 o EQ237
[ TS1863 ] Animation C1 ENERGY= 775.5 kJ/mol
Energy+ZPE= 757.8 kJ/mol ZPE= 0.0428107
CONNECTIONS:
o EQ225 o DDC535
[ TS1864 ] Animation C1 ENERGY= 951.1 kJ/mol
Energy+ZPE= 930.6 kJ/mol ZPE= 0.0417351
CONNECTIONS:
o EQ225 o DDC536
[ TS1865 ] Animation C1 ENERGY= 704.2 kJ/mol
Energy+ZPE= 687.1 kJ/mol ZPE= 0.0430249
CONNECTIONS:
o EQ226 o EQ228
[ TS1866 ] Animation C1 ENERGY= 693.2 kJ/mol
Energy+ZPE= 678.0 kJ/mol ZPE= 0.0437411
CONNECTIONS:
o EQ226 o EQ243
[ TS1867 ] Animation C1 ENERGY= 698.6 kJ/mol
Energy+ZPE= 679.6 kJ/mol ZPE= 0.0423077
CONNECTIONS:
o EQ226 o DDC537
[ TS1868 ] Animation C1 ENERGY= 828.9 kJ/mol
Energy+ZPE= 798.2 kJ/mol ZPE= 0.0378405
CONNECTIONS:
o EQ226 o DDC538
[ TS1869 ] Animation Cs ENERGY= 693.5 kJ/mol
Energy+ZPE= 681.8 kJ/mol ZPE= 0.0451096
CONNECTIONS:
o EQ227 o EQ227
[ TS1870 ] Animation C1 ENERGY= 1008.4 kJ/mol
Energy+ZPE= 985.4 kJ/mol ZPE= 0.0407978
CONNECTIONS:
o EQ227 o DDC539
[ TS1871 ] Animation C1 ENERGY= 784.0 kJ/mol
Energy+ZPE= 762.9 kJ/mol ZPE= 0.0415171
CONNECTIONS:
o EQ228 o EQ234
[ TS1872 ] Animation C1 ENERGY= 708.5 kJ/mol
Energy+ZPE= 691.5 kJ/mol ZPE= 0.0430603
CONNECTIONS:
o EQ228 o EQ243
[ TS1873 ] Animation C1 ENERGY= 707.3 kJ/mol
Energy+ZPE= 690.0 kJ/mol ZPE= 0.0429570
CONNECTIONS:
o EQ228 o EQ262
[ TS1874 ] Animation C1 ENERGY= 873.4 kJ/mol
Energy+ZPE= 854.3 kJ/mol ZPE= 0.0422869
CONNECTIONS:
o EQ228 o EQ334
[ TS1875 ] Animation C1 ENERGY= 708.3 kJ/mol
Energy+ZPE= 687.9 kJ/mol ZPE= 0.0417663
CONNECTIONS:
o EQ228 o DDC540
[ TS1876 ] Animation C1 ENERGY= 708.8 kJ/mol
Energy+ZPE= 687.9 kJ/mol ZPE= 0.0415888
CONNECTIONS:
o EQ228 o DDC541
[ TS1877 ] Animation C1 ENERGY= 789.9 kJ/mol
Energy+ZPE= 769.2 kJ/mol ZPE= 0.0416697
CONNECTIONS:
o EQ228 o DDC542
[ TS1878 ] Animation Cs ENERGY= 832.4 kJ/mol
Energy+ZPE= 800.2 kJ/mol ZPE= 0.0372959
CONNECTIONS:
o EQ228 o DDC543
[ TS1879 ] Animation Cs ENERGY= 685.7 kJ/mol
Energy+ZPE= 669.9 kJ/mol ZPE= 0.0435279
CONNECTIONS:
o EQ229 o EQ229
[ TS1880 ] Animation C1 ENERGY= 815.3 kJ/mol
Energy+ZPE= 798.6 kJ/mol ZPE= 0.0431805
CONNECTIONS:
o EQ229 o EQ284
[ TS1881 ] Animation C1 ENERGY= 688.7 kJ/mol
Energy+ZPE= 671.2 kJ/mol ZPE= 0.0428817
CONNECTIONS:
o EQ229 o DDC544
[ TS1882 ] Animation C1 ENERGY= 716.4 kJ/mol
Energy+ZPE= 696.6 kJ/mol ZPE= 0.0419993
CONNECTIONS:
o EQ229 o DDC545
[ TS1883 ] Animation Cs ENERGY= 719.8 kJ/mol
Energy+ZPE= 693.9 kJ/mol ZPE= 0.0396884
CONNECTIONS:
o EQ229 o DDC546
[ TS1884 ] Animation C1 ENERGY= 774.2 kJ/mol
Energy+ZPE= 748.0 kJ/mol ZPE= 0.0395651
CONNECTIONS:
o EQ229 o DDC547
[ TS1885 ] Animation C1 ENERGY= 813.3 kJ/mol
Energy+ZPE= 795.0 kJ/mol ZPE= 0.0425846
CONNECTIONS:
o EQ229 o DDC548
[ TS1886 ] Animation C1 ENERGY= 691.0 kJ/mol
Energy+ZPE= 680.9 kJ/mol ZPE= 0.0456905
CONNECTIONS:
o EQ230 o EQ239
[ TS1887 ] Animation C1 ENERGY= 786.3 kJ/mol
Energy+ZPE= 761.5 kJ/mol ZPE= 0.0401038
CONNECTIONS:
o EQ230 o DDC549
[ TS1888 ] Animation C1 ENERGY= 701.9 kJ/mol
Energy+ZPE= 692.0 kJ/mol ZPE= 0.0457644
CONNECTIONS:
o EQ231 o EQ237
[ TS1889 ] Animation C1 ENERGY= 784.0 kJ/mol
Energy+ZPE= 759.2 kJ/mol ZPE= 0.0401187
CONNECTIONS:
o EQ231 o DDC550
[ TS1890 ] Animation C1 ENERGY= 686.6 kJ/mol
Energy+ZPE= 670.3 kJ/mol ZPE= 0.0433226
CONNECTIONS:
o EQ232 o DDC551
[ TS1891 ] Animation Cs ENERGY= 1028.4 kJ/mol
Energy+ZPE= 1003.8 kJ/mol ZPE= 0.0401724
CONNECTIONS:
o EQ233 o EQ233
[ TS1892 ] Animation C1 ENERGY= 860.3 kJ/mol
Energy+ZPE= 845.5 kJ/mol ZPE= 0.0439265
CONNECTIONS:
o EQ233 o EQ307
[ TS1893 ] Animation C1 ENERGY= 698.8 kJ/mol
Energy+ZPE= 679.6 kJ/mol ZPE= 0.0422382
CONNECTIONS:
o EQ233 o DDC552
[ TS1894 ] Animation C1 ENERGY= 928.5 kJ/mol
Energy+ZPE= 903.3 kJ/mol ZPE= 0.0399579
CONNECTIONS:
o EQ233 o DDC553
[ TS1895 ] Animation C1 ENERGY= 993.6 kJ/mol
Energy+ZPE= 975.4 kJ/mol ZPE= 0.0426252
CONNECTIONS:
o EQ233 o DDC554
[ TS1896 ] Animation C1 ENERGY= 876.4 kJ/mol
Energy+ZPE= 857.0 kJ/mol ZPE= 0.0421717
CONNECTIONS:
o EQ234 o EQ331
[ TS1897 ] Animation C1 ENERGY= 689.9 kJ/mol
Energy+ZPE= 674.4 kJ/mol ZPE= 0.0436484
CONNECTIONS:
o EQ234 o DDC555
[ TS1898 ] Animation Cs ENERGY= 843.2 kJ/mol
Energy+ZPE= 809.7 kJ/mol ZPE= 0.0367875
CONNECTIONS:
o EQ234 o DDC556
[ TS1899 ] Animation C1 ENERGY= 690.0 kJ/mol
Energy+ZPE= 673.8 kJ/mol ZPE= 0.0433936
CONNECTIONS:
o EQ235 o EQ236
[ TS1900 ] Animation C1 ENERGY= 817.4 kJ/mol
Energy+ZPE= 799.6 kJ/mol ZPE= 0.0427764
CONNECTIONS:
o EQ235 o DDC557
[ TS1901 ] Animation C1 ENERGY= 1012.8 kJ/mol
Energy+ZPE= 993.0 kJ/mol ZPE= 0.0419997
CONNECTIONS:
o EQ236 o EQ391
[ TS1902 ] Animation C1 ENERGY= 1000.3 kJ/mol
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0422544
CONNECTIONS:
o EQ238 o EQ433
[ TS1903 ] Animation C1 ENERGY= 721.5 kJ/mol
Energy+ZPE= 696.2 kJ/mol ZPE= 0.0398966
CONNECTIONS:
o EQ238 o DDC558
[ TS1904 ] Animation C1 ENERGY= 772.4 kJ/mol
Energy+ZPE= 746.7 kJ/mol ZPE= 0.0397652
CONNECTIONS:
o EQ238 o DDC559
[ TS1905 ] Animation C1 ENERGY= 780.0 kJ/mol
Energy+ZPE= 762.2 kJ/mol ZPE= 0.0427690
CONNECTIONS:
o EQ239 o DDC560
[ TS1906 ] Animation C1 ENERGY= 861.5 kJ/mol
Energy+ZPE= 833.6 kJ/mol ZPE= 0.0389290
CONNECTIONS:
o EQ239 o DDC561
[ TS1907 ] Animation C1 ENERGY= 1141.0 kJ/mol
Energy+ZPE= 1123.3 kJ/mol ZPE= 0.0427884
CONNECTIONS:
o EQ240 o EQ245
[ TS1908 ] Animation C1 ENERGY= 710.3 kJ/mol
Energy+ZPE= 694.2 kJ/mol ZPE= 0.0434049
CONNECTIONS:
o EQ240 o DDC562
[ TS1909 ] Animation C1 ENERGY= 722.4 kJ/mol
Energy+ZPE= 705.2 kJ/mol ZPE= 0.0430058
CONNECTIONS:
o EQ240 o DDC563
[ TS1910 ] Animation C1 ENERGY= 703.9 kJ/mol
Energy+ZPE= 683.0 kJ/mol ZPE= 0.0415929
CONNECTIONS:
o EQ241 o EQ242
[ TS1911 ] Animation C1 ENERGY= 704.0 kJ/mol
Energy+ZPE= 681.9 kJ/mol ZPE= 0.0411147
CONNECTIONS:
o EQ241 o EQ242
[ TS1912 ] Animation C1 ENERGY= 901.1 kJ/mol
Energy+ZPE= 876.2 kJ/mol ZPE= 0.0400627
CONNECTIONS:
o EQ241 o EQ352
[ TS1913 ] Animation C1 ENERGY= 695.5 kJ/mol
Energy+ZPE= 675.7 kJ/mol ZPE= 0.0419907
CONNECTIONS:
o EQ241 o DDC564
[ TS1914 ] Animation C1 ENERGY= 744.9 kJ/mol
Energy+ZPE= 725.0 kJ/mol ZPE= 0.0419617
CONNECTIONS:
o EQ241 o DDC565
[ TS1915 ] Animation C1 ENERGY= 695.3 kJ/mol
Energy+ZPE= 675.8 kJ/mol ZPE= 0.0421202
CONNECTIONS:
o EQ242 o DDC566
[ TS1916 ] Animation C1 ENERGY= 744.1 kJ/mol
Energy+ZPE= 721.8 kJ/mol ZPE= 0.0410411
CONNECTIONS:
o EQ243 o DDC567
[ TS1917 ] Animation C1 ENERGY= 860.4 kJ/mol
Energy+ZPE= 829.3 kJ/mol ZPE= 0.0376961
CONNECTIONS:
o EQ243 o DDC568
[ TS1918 ] Animation Cs ENERGY= 694.9 kJ/mol
Energy+ZPE= 682.5 kJ/mol ZPE= 0.0448337
CONNECTIONS:
o EQ244 o EQ244
[ TS1919 ] Animation C1 ENERGY= 776.1 kJ/mol
Energy+ZPE= 756.1 kJ/mol ZPE= 0.0419371
CONNECTIONS:
o EQ244 o EQ248
[ TS1920 ] Animation C1 ENERGY= 777.4 kJ/mol
Energy+ZPE= 757.4 kJ/mol ZPE= 0.0419261
CONNECTIONS:
o EQ244 o EQ248
[ TS1921 ] Animation C1 ENERGY= 726.3 kJ/mol
Energy+ZPE= 712.5 kJ/mol ZPE= 0.0442912
CONNECTIONS:
o EQ244 o EQ264
[ TS1922 ] Animation C1 ENERGY= 812.2 kJ/mol
Energy+ZPE= 787.1 kJ/mol ZPE= 0.0399766
CONNECTIONS:
o EQ244 o EQ273
[ TS1923 ] Animation C1 ENERGY= 1459.0 kJ/mol
Energy+ZPE= 1428.5 kJ/mol ZPE= 0.0379213
CONNECTIONS:
o EQ244 o EQ562
[ TS1924 ] Animation Cs ENERGY= 1025.3 kJ/mol
Energy+ZPE= 1003.8 kJ/mol ZPE= 0.0413709
CONNECTIONS:
o EQ245 o EQ245
[ TS1925 ] Animation C1 ENERGY= 836.4 kJ/mol
Energy+ZPE= 824.8 kJ/mol ZPE= 0.0451131
CONNECTIONS:
o EQ245 o EQ318
[ TS1926 ] Animation C1 ENERGY= 861.8 kJ/mol
Energy+ZPE= 848.7 kJ/mol ZPE= 0.0445627
CONNECTIONS:
o EQ245 o EQ320
[ TS1927 ] Animation C1 ENERGY= 982.8 kJ/mol
Energy+ZPE= 964.3 kJ/mol ZPE= 0.0425157
CONNECTIONS:
o EQ245 o EQ427
[ TS1928 ] Animation C1 ENERGY= 1032.6 kJ/mol
Energy+ZPE= 1011.6 kJ/mol ZPE= 0.0415374
CONNECTIONS:
o EQ245 o EQ442
[ TS1929 ] Animation C1 ENERGY= 1042.2 kJ/mol
Energy+ZPE= 1017.9 kJ/mol ZPE= 0.0402864
CONNECTIONS:
o EQ245 o EQ447
[ TS1930 ] Animation Cs ENERGY= 789.8 kJ/mol
Energy+ZPE= 774.3 kJ/mol ZPE= 0.0436302
CONNECTIONS:
o EQ245 o DDC569
[ TS1931 ] Animation C1 ENERGY= 864.9 kJ/mol
Energy+ZPE= 851.2 kJ/mol ZPE= 0.0443320
CONNECTIONS:
o EQ245 o DDC570
[ TS1932 ] Animation C1 ENERGY= 871.3 kJ/mol
Energy+ZPE= 852.1 kJ/mol ZPE= 0.0422408
CONNECTIONS:
o EQ245 o DDC571
[ TS1933 ] Animation C1 ENERGY= 1066.3 kJ/mol
Energy+ZPE= 1048.7 kJ/mol ZPE= 0.0428403
CONNECTIONS:
o EQ245 o DDC572
[ TS1934 ] Animation C1 ENERGY= 1096.5 kJ/mol
Energy+ZPE= 1069.0 kJ/mol ZPE= 0.0390774
CONNECTIONS:
o EQ245 o DDC573
[ TS1935 ] Animation C1 ENERGY= 695.8 kJ/mol
Energy+ZPE= 675.4 kJ/mol ZPE= 0.0417889
CONNECTIONS:
o EQ246 o DDC574
[ TS1936 ] Animation C1 ENERGY= 697.7 kJ/mol
Energy+ZPE= 676.9 kJ/mol ZPE= 0.0416131
CONNECTIONS:
o EQ246 o DDC575
[ TS1937 ] Animation C1 ENERGY= 1001.5 kJ/mol
Energy+ZPE= 983.8 kJ/mol ZPE= 0.0428021
CONNECTIONS:
o EQ247 o EQ441
[ TS1938 ] Animation C1 ENERGY= 812.0 kJ/mol
Energy+ZPE= 794.3 kJ/mol ZPE= 0.0428002
CONNECTIONS:
o EQ247 o DDC576
[ TS1939 ] Animation C1 ENERGY= 818.8 kJ/mol
Energy+ZPE= 800.1 kJ/mol ZPE= 0.0424074
CONNECTIONS:
o EQ247 o DDC577
[ TS1940 ] Animation C1 ENERGY= 818.9 kJ/mol
Energy+ZPE= 802.1 kJ/mol ZPE= 0.0431332
CONNECTIONS:
o EQ247 o DDC578
[ TS1941 ] Animation C1 ENERGY= 823.6 kJ/mol
Energy+ZPE= 807.2 kJ/mol ZPE= 0.0432903
CONNECTIONS:
o EQ247 o DDC579
[ TS1942 ] Animation C1 ENERGY= 827.8 kJ/mol
Energy+ZPE= 809.2 kJ/mol ZPE= 0.0424815
CONNECTIONS:
o EQ247 o DDC580
[ TS1943 ] Animation C1 ENERGY= 828.3 kJ/mol
Energy+ZPE= 810.1 kJ/mol ZPE= 0.0426108
CONNECTIONS:
o EQ247 o DDC581
[ TS1944 ] Animation C1 ENERGY= 841.4 kJ/mol
Energy+ZPE= 824.5 kJ/mol ZPE= 0.0431260
CONNECTIONS:
o EQ247 o DDC582
[ TS1945 ] Animation C1 ENERGY= 847.5 kJ/mol
Energy+ZPE= 828.4 kJ/mol ZPE= 0.0422681
CONNECTIONS:
o EQ247 o DDC583
[ TS1946 ] Animation C1 ENERGY= 928.8 kJ/mol
Energy+ZPE= 904.6 kJ/mol ZPE= 0.0403128
CONNECTIONS:
o EQ247 o DDC584
[ TS1947 ] Animation C1 ENERGY= 982.6 kJ/mol
Energy+ZPE= 959.3 kJ/mol ZPE= 0.0406606
CONNECTIONS:
o EQ247 o DDC585
[ TS1948 ] Animation C1 ENERGY= 1013.4 kJ/mol
Energy+ZPE= 991.8 kJ/mol ZPE= 0.0413025
CONNECTIONS:
o EQ247 o DDC586
[ TS1949 ] Animation Cs ENERGY= 698.6 kJ/mol
Energy+ZPE= 684.2 kJ/mol ZPE= 0.0440447
CONNECTIONS:
o EQ248 o EQ248
[ TS1950 ] Animation C1 ENERGY= 855.2 kJ/mol
Energy+ZPE= 830.4 kJ/mol ZPE= 0.0401173
CONNECTIONS:
o EQ248 o EQ264
[ TS1951 ] Animation C1 ENERGY= 737.7 kJ/mol
Energy+ZPE= 721.3 kJ/mol ZPE= 0.0432891
CONNECTIONS:
o EQ248 o EQ269
[ TS1952 ] Animation Cs ENERGY= 813.1 kJ/mol
Energy+ZPE= 785.9 kJ/mol ZPE= 0.0392049
CONNECTIONS:
o EQ248 o EQ270
[ TS1953 ] Animation C1 ENERGY= 814.2 kJ/mol
Energy+ZPE= 791.8 kJ/mol ZPE= 0.0410220
CONNECTIONS:
o EQ248 o DDC587
[ TS1954 ] Animation Cs ENERGY= 703.2 kJ/mol
Energy+ZPE= 682.7 kJ/mol ZPE= 0.0417425
CONNECTIONS:
o EQ249 o EQ249
[ TS1955 ] Animation C1 ENERGY= 697.6 kJ/mol
Energy+ZPE= 676.5 kJ/mol ZPE= 0.0415226
CONNECTIONS:
o EQ249 o DDC588
[ TS1956 ] Animation C1 ENERGY= 697.6 kJ/mol
Energy+ZPE= 676.6 kJ/mol ZPE= 0.0415547
CONNECTIONS:
o EQ249 o DDC589
[ TS1957 ] Animation C1 ENERGY= 752.5 kJ/mol
Energy+ZPE= 738.3 kJ/mol ZPE= 0.0441537
CONNECTIONS:
o EQ250 o EQ299
[ TS1958 ] Animation C1 ENERGY= 765.3 kJ/mol
Energy+ZPE= 750.7 kJ/mol ZPE= 0.0439873
CONNECTIONS:
o EQ250 o EQ299
[ TS1959 ] Animation C1 ENERGY= 925.4 kJ/mol
Energy+ZPE= 906.0 kJ/mol ZPE= 0.0421568
CONNECTIONS:
o EQ250 o EQ321
[ TS1960 ] Animation C1 ENERGY= 700.2 kJ/mol
Energy+ZPE= 679.6 kJ/mol ZPE= 0.0417168
CONNECTIONS:
o EQ250 o DDC590
[ TS1961 ] Animation C1 ENERGY= 746.9 kJ/mol
Energy+ZPE= 730.7 kJ/mol ZPE= 0.0433814
CONNECTIONS:
o EQ250 o DDC591
[ TS1962 ] Animation C1 ENERGY= 812.9 kJ/mol
Energy+ZPE= 792.7 kJ/mol ZPE= 0.0418411
CONNECTIONS:
o EQ250 o DDC592
[ TS1963 ] Animation Cs ENERGY= 706.1 kJ/mol
Energy+ZPE= 695.0 kJ/mol ZPE= 0.0453273
CONNECTIONS:
o EQ251 o EQ251
[ TS1964 ] Animation C1 ENERGY= 725.6 kJ/mol
Energy+ZPE= 710.1 kJ/mol ZPE= 0.0436341
CONNECTIONS:
o EQ251 o EQ263
[ TS1965 ] Animation Cs ENERGY= 839.8 kJ/mol
Energy+ZPE= 820.9 kJ/mol ZPE= 0.0423347
CONNECTIONS:
o EQ251 o EQ263
[ TS1966 ] Animation Cs ENERGY= 785.3 kJ/mol
Energy+ZPE= 766.3 kJ/mol ZPE= 0.0422986
CONNECTIONS:
o EQ251 o EQ312
[ TS1967 ] Animation C1 ENERGY= 720.1 kJ/mol
Energy+ZPE= 705.9 kJ/mol ZPE= 0.0441401
CONNECTIONS:
o EQ251 o DDC593
[ TS1968 ] Animation Cs ENERGY= 836.3 kJ/mol
Energy+ZPE= 815.8 kJ/mol ZPE= 0.0417416
CONNECTIONS:
o EQ251 o DDC594
[ TS1969 ] Animation C1 ENERGY= 840.5 kJ/mol
Energy+ZPE= 819.0 kJ/mol ZPE= 0.0413475
CONNECTIONS:
o EQ251 o DDC595
[ TS1970 ] Animation Cs ENERGY= 841.2 kJ/mol
Energy+ZPE= 819.6 kJ/mol ZPE= 0.0413043
CONNECTIONS:
o EQ251 o DDC596
[ TS1971 ] Animation Cs ENERGY= 849.6 kJ/mol
Energy+ZPE= 830.0 kJ/mol ZPE= 0.0420890
CONNECTIONS:
o EQ251 o DDC597
[ TS1972 ] Animation Cs ENERGY= 860.1 kJ/mol
Energy+ZPE= 843.0 kJ/mol ZPE= 0.0430204
CONNECTIONS:
o EQ251 o DDC598
[ TS1973 ] Animation C1 ENERGY= 822.4 kJ/mol
Energy+ZPE= 805.2 kJ/mol ZPE= 0.0429819
CONNECTIONS:
o EQ252 o EQ254
[ TS1974 ] Animation C1 ENERGY= 710.6 kJ/mol
Energy+ZPE= 697.1 kJ/mol ZPE= 0.0444152
CONNECTIONS:
o EQ252 o EQ264
[ TS1975 ] Animation C1 ENERGY= 782.0 kJ/mol
Energy+ZPE= 761.9 kJ/mol ZPE= 0.0419079
CONNECTIONS:
o EQ252 o EQ287
[ TS1976 ] Animation C1 ENERGY= 960.4 kJ/mol
Energy+ZPE= 928.7 kJ/mol ZPE= 0.0374714
CONNECTIONS:
o EQ252 o DDC599
[ TS1977 ] Animation C1 ENERGY= 1005.0 kJ/mol
Energy+ZPE= 973.6 kJ/mol ZPE= 0.0375873
CONNECTIONS:
o EQ253 o EQ253
[ TS1978 ] Animation C1 ENERGY= 713.3 kJ/mol
Energy+ZPE= 695.7 kJ/mol ZPE= 0.0428471
CONNECTIONS:
o EQ253 o EQ265
[ TS1979 ] Animation C1 ENERGY= 730.7 kJ/mol
Energy+ZPE= 713.4 kJ/mol ZPE= 0.0429595
CONNECTIONS:
o EQ253 o EQ270
[ TS1980 ] Animation C1 ENERGY= 977.0 kJ/mol
Energy+ZPE= 958.4 kJ/mol ZPE= 0.0424736
CONNECTIONS:
o EQ253 o EQ398
[ TS1981 ] Animation C1 ENERGY= 736.6 kJ/mol
Energy+ZPE= 718.8 kJ/mol ZPE= 0.0427827
CONNECTIONS:
o EQ253 o DDC600
[ TS1982 ] Animation C1 ENERGY= 805.6 kJ/mol
Energy+ZPE= 774.2 kJ/mol ZPE= 0.0375802
CONNECTIONS:
o EQ253 o DDC601
[ TS1983 ] Animation C1 ENERGY= 783.5 kJ/mol
Energy+ZPE= 764.2 kJ/mol ZPE= 0.0422047
CONNECTIONS:
o EQ254 o EQ286
[ TS1984 ] Animation C1 ENERGY= 915.6 kJ/mol
Energy+ZPE= 896.7 kJ/mol ZPE= 0.0423431
CONNECTIONS:
o EQ254 o EQ315
[ TS1985 ] Animation C1 ENERGY= 1061.2 kJ/mol
Energy+ZPE= 1030.6 kJ/mol ZPE= 0.0378804
CONNECTIONS:
o EQ254 o EQ418
[ TS1986 ] Animation C1 ENERGY= 949.6 kJ/mol
Energy+ZPE= 918.5 kJ/mol ZPE= 0.0376908
CONNECTIONS:
o EQ254 o DDC602
[ TS1987 ] Animation C1 ENERGY= 701.0 kJ/mol
Energy+ZPE= 683.9 kJ/mol ZPE= 0.0430506
CONNECTIONS:
o EQ255 o DDC603
[ TS1988 ] Animation C1 ENERGY= 731.2 kJ/mol
Energy+ZPE= 714.9 kJ/mol ZPE= 0.0433513
CONNECTIONS:
o EQ255 o DDC604
[ TS1989 ] Animation C1 ENERGY= 734.0 kJ/mol
Energy+ZPE= 709.6 kJ/mol ZPE= 0.0402448
CONNECTIONS:
o EQ255 o DDC605
[ TS1990 ] Animation C1 ENERGY= 714.4 kJ/mol
Energy+ZPE= 698.8 kJ/mol ZPE= 0.0435949
CONNECTIONS:
o EQ256 o EQ266
[ TS1991 ] Animation C1 ENERGY= 729.7 kJ/mol
Energy+ZPE= 714.3 kJ/mol ZPE= 0.0436645
CONNECTIONS:
o EQ256 o EQ273
[ TS1992 ] Animation C1 ENERGY= 734.0 kJ/mol
Energy+ZPE= 718.3 kJ/mol ZPE= 0.0435844
CONNECTIONS:
o EQ256 o EQ275
[ TS1993 ] Animation C1 ENERGY= 980.5 kJ/mol
Energy+ZPE= 963.8 kJ/mol ZPE= 0.0431896
CONNECTIONS:
o EQ256 o EQ403
[ TS1994 ] Animation C1 ENERGY= 1461.5 kJ/mol
Energy+ZPE= 1427.5 kJ/mol ZPE= 0.0366117
CONNECTIONS:
o EQ256 o EQ565
[ TS1995 ] Animation C1 ENERGY= 825.3 kJ/mol
Energy+ZPE= 799.8 kJ/mol ZPE= 0.0398180
CONNECTIONS:
o EQ256 o DDC606
[ TS1996 ] Animation C1 ENERGY= 703.5 kJ/mol
Energy+ZPE= 690.3 kJ/mol ZPE= 0.0445221
CONNECTIONS:
o EQ257 o EQ259
[ TS1997 ] Animation C1 ENERGY= 702.0 kJ/mol
Energy+ZPE= 690.6 kJ/mol ZPE= 0.0452190
CONNECTIONS:
o EQ257 o DDC607
[ TS1998 ] Animation C1 ENERGY= 868.4 kJ/mol
Energy+ZPE= 850.9 kJ/mol ZPE= 0.0428837
CONNECTIONS:
o EQ258 o EQ322
[ TS1999 ] Animation C1 ENERGY= 934.9 kJ/mol
Energy+ZPE= 916.0 kJ/mol ZPE= 0.0423581
CONNECTIONS:
o EQ258 o EQ331
[ TS2000 ] Animation C1 ENERGY= 701.5 kJ/mol
Energy+ZPE= 684.1 kJ/mol ZPE= 0.0429040
CONNECTIONS:
o EQ258 o DDC608
[ TS2001 ] Animation C1 ENERGY= 726.7 kJ/mol
Energy+ZPE= 711.2 kJ/mol ZPE= 0.0436325
CONNECTIONS:
o EQ258 o DDC609
[ TS2002 ] Animation C1 ENERGY= 813.7 kJ/mol
Energy+ZPE= 799.3 kJ/mol ZPE= 0.0440677
CONNECTIONS:
o EQ259 o EQ307
[ TS2003 ] Animation C1 ENERGY= 707.7 kJ/mol
Energy+ZPE= 693.9 kJ/mol ZPE= 0.0442891
CONNECTIONS:
o EQ259 o DDC610
[ TS2004 ] Animation C1 ENERGY= 710.5 kJ/mol
Energy+ZPE= 694.3 kJ/mol ZPE= 0.0433809
CONNECTIONS:
o EQ259 o DDC611
[ TS2005 ] Animation Cs ENERGY= 724.2 kJ/mol
Energy+ZPE= 713.6 kJ/mol ZPE= 0.0455289
CONNECTIONS:
o EQ260 o EQ260
[ TS2006 ] Animation C1 ENERGY= 739.0 kJ/mol
Energy+ZPE= 720.5 kJ/mol ZPE= 0.0424948
CONNECTIONS:
o EQ261 o EQ268
[ TS2007 ] Animation C1 ENERGY= 873.8 kJ/mol
Energy+ZPE= 855.6 kJ/mol ZPE= 0.0426033
CONNECTIONS:
o EQ261 o EQ322
[ TS2008 ] Animation C1 ENERGY= 964.6 kJ/mol
Energy+ZPE= 945.6 kJ/mol ZPE= 0.0422972
CONNECTIONS:
o EQ261 o EQ416
[ TS2009 ] Animation C1 ENERGY= 704.8 kJ/mol
Energy+ZPE= 687.2 kJ/mol ZPE= 0.0428534
CONNECTIONS:
o EQ261 o DDC612
[ TS2010 ] Animation C1 ENERGY= 710.2 kJ/mol
Energy+ZPE= 692.1 kJ/mol ZPE= 0.0426458
CONNECTIONS:
o EQ261 o DDC613
[ TS2011 ] Animation C1 ENERGY= 727.3 kJ/mol
Energy+ZPE= 711.7 kJ/mol ZPE= 0.0436117
CONNECTIONS:
o EQ261 o DDC614
[ TS2012 ] Animation C1 ENERGY= 987.9 kJ/mol
Energy+ZPE= 966.2 kJ/mol ZPE= 0.0412897
CONNECTIONS:
o EQ261 o DDC615
[ TS2013 ] Animation C1 ENERGY= 901.3 kJ/mol
Energy+ZPE= 878.3 kJ/mol ZPE= 0.0407732
CONNECTIONS:
o EQ262 o EQ342
[ TS2014 ] Animation C1 ENERGY= 881.5 kJ/mol
Energy+ZPE= 860.8 kJ/mol ZPE= 0.0416628
CONNECTIONS:
o EQ262 o EQ350
[ TS2015 ] Animation Cs ENERGY= 753.7 kJ/mol
Energy+ZPE= 718.5 kJ/mol ZPE= 0.0361242
CONNECTIONS:
o EQ262 o DDC616
[ TS2016 ] Animation Cs ENERGY= 869.2 kJ/mol
Energy+ZPE= 843.4 kJ/mol ZPE= 0.0397251
CONNECTIONS:
o EQ262 o DDC617
[ TS2017 ] Animation Cs ENERGY= 717.3 kJ/mol
Energy+ZPE= 706.7 kJ/mol ZPE= 0.0455160
CONNECTIONS:
o EQ263 o EQ263
[ TS2018 ] Animation C1 ENERGY= 724.9 kJ/mol
Energy+ZPE= 709.1 kJ/mol ZPE= 0.0435452
CONNECTIONS:
o EQ263 o EQ281
[ TS2019 ] Animation Cs ENERGY= 790.9 kJ/mol
Energy+ZPE= 770.5 kJ/mol ZPE= 0.0417930
CONNECTIONS:
o EQ263 o EQ314
[ TS2020 ] Animation Cs ENERGY= 840.3 kJ/mol
Energy+ZPE= 818.0 kJ/mol ZPE= 0.0410690
CONNECTIONS:
o EQ263 o DDC618
[ TS2021 ] Animation C1 ENERGY= 895.3 kJ/mol
Energy+ZPE= 868.7 kJ/mol ZPE= 0.0394051
CONNECTIONS:
o EQ263 o DDC619
[ TS2022 ] Animation C1 ENERGY= 897.8 kJ/mol
Energy+ZPE= 870.7 kJ/mol ZPE= 0.0392172
CONNECTIONS:
o EQ263 o DDC620
[ TS2023 ] Animation C1 ENERGY= 1012.4 kJ/mol
Energy+ZPE= 988.9 kJ/mol ZPE= 0.0405862
CONNECTIONS:
o EQ263 o DDC621
[ TS2024 ] Animation C1 ENERGY= 783.2 kJ/mol
Energy+ZPE= 762.5 kJ/mol ZPE= 0.0416503
CONNECTIONS:
o EQ264 o EQ269
[ TS2025 ] Animation C1 ENERGY= 891.1 kJ/mol
Energy+ZPE= 869.5 kJ/mol ZPE= 0.0413221
CONNECTIONS:
o EQ264 o DDC622
[ TS2026 ] Animation Cs ENERGY= 1245.7 kJ/mol
Energy+ZPE= 1217.3 kJ/mol ZPE= 0.0387281
CONNECTIONS:
o EQ264 o DDC623
[ TS2027 ] Animation C1 ENERGY= 797.6 kJ/mol
Energy+ZPE= 774.8 kJ/mol ZPE= 0.0408506
CONNECTIONS:
o EQ265 o EQ266
[ TS2028 ] Animation C1 ENERGY= 740.3 kJ/mol
Energy+ZPE= 721.7 kJ/mol ZPE= 0.0424592
CONNECTIONS:
o EQ265 o EQ282
[ TS2029 ] Animation C1 ENERGY= 1026.9 kJ/mol
Energy+ZPE= 996.4 kJ/mol ZPE= 0.0379490
CONNECTIONS:
o EQ265 o EQ428
[ TS2030 ] Animation C1 ENERGY= 745.0 kJ/mol
Energy+ZPE= 725.8 kJ/mol ZPE= 0.0422260
CONNECTIONS:
o EQ265 o DDC624
[ TS2031 ] Animation C1 ENERGY= 817.7 kJ/mol
Energy+ZPE= 784.5 kJ/mol ZPE= 0.0369009
CONNECTIONS:
o EQ265 o DDC625
[ TS2032 ] Animation C1 ENERGY= 743.8 kJ/mol
Energy+ZPE= 726.6 kJ/mol ZPE= 0.0429963
CONNECTIONS:
o EQ266 o EQ283
[ TS2033 ] Animation C1 ENERGY= 740.1 kJ/mol
Energy+ZPE= 723.3 kJ/mol ZPE= 0.0431608
CONNECTIONS:
o EQ266 o EQ284
[ TS2034 ] Animation Cs ENERGY= 929.6 kJ/mol
Energy+ZPE= 912.8 kJ/mol ZPE= 0.0431618
CONNECTIONS:
o EQ267 o EQ267
[ TS2035 ] Animation C1 ENERGY= 773.6 kJ/mol
Energy+ZPE= 760.5 kJ/mol ZPE= 0.0445516
CONNECTIONS:
o EQ267 o EQ277
[ TS2036 ] Animation C1 ENERGY= 814.7 kJ/mol
Energy+ZPE= 798.4 kJ/mol ZPE= 0.0433496
CONNECTIONS:
o EQ267 o EQ303
[ TS2037 ] Animation C1 ENERGY= 1114.4 kJ/mol
Energy+ZPE= 1094.5 kJ/mol ZPE= 0.0419670
CONNECTIONS:
o EQ267 o EQ494
[ TS2038 ] Animation C1 ENERGY= 993.1 kJ/mol
Energy+ZPE= 970.6 kJ/mol ZPE= 0.0409683
CONNECTIONS:
o EQ267 o DDC626
[ TS2039 ] Animation C1 ENERGY= 1088.1 kJ/mol
Energy+ZPE= 1065.3 kJ/mol ZPE= 0.0408740
CONNECTIONS:
o EQ267 o DDC627
[ TS2040 ] Animation C1 ENERGY= 713.8 kJ/mol
Energy+ZPE= 694.9 kJ/mol ZPE= 0.0423572
CONNECTIONS:
o EQ268 o DDC628
[ TS2041 ] Animation C1 ENERGY= 715.1 kJ/mol
Energy+ZPE= 699.4 kJ/mol ZPE= 0.0435841
CONNECTIONS:
o EQ268 o DDC629
[ TS2042 ] Animation C1 ENERGY= 718.9 kJ/mol
Energy+ZPE= 699.6 kJ/mol ZPE= 0.0421822
CONNECTIONS:
o EQ268 o DDC630
[ TS2043 ] Animation C1 ENERGY= 735.3 kJ/mol
Energy+ZPE= 718.8 kJ/mol ZPE= 0.0432527
CONNECTIONS:
o EQ269 o EQ287
[ TS2044 ] Animation Cs ENERGY= 834.2 kJ/mol
Energy+ZPE= 805.6 kJ/mol ZPE= 0.0386712
CONNECTIONS:
o EQ269 o EQ296
[ TS2045 ] Animation C1 ENERGY= 737.6 kJ/mol
Energy+ZPE= 713.2 kJ/mol ZPE= 0.0402583
CONNECTIONS:
o EQ269 o DDC631
[ TS2046 ] Animation C1 ENERGY= 714.6 kJ/mol
Energy+ZPE= 697.7 kJ/mol ZPE= 0.0431173
CONNECTIONS:
o EQ270 o EQ270
[ TS2047 ] Animation C1 ENERGY= 799.5 kJ/mol
Energy+ZPE= 777.4 kJ/mol ZPE= 0.0411427
CONNECTIONS:
o EQ270 o EQ273
[ TS2048 ] Animation C1 ENERGY= 800.5 kJ/mol
Energy+ZPE= 778.4 kJ/mol ZPE= 0.0411227
CONNECTIONS:
o EQ270 o EQ273
[ TS2049 ] Animation C1 ENERGY= 726.5 kJ/mol
Energy+ZPE= 707.8 kJ/mol ZPE= 0.0424335
CONNECTIONS:
o EQ270 o EQ282
[ TS2050 ] Animation C1 ENERGY= 748.2 kJ/mol
Energy+ZPE= 729.6 kJ/mol ZPE= 0.0424721
CONNECTIONS:
o EQ270 o EQ296
[ TS2051 ] Animation Cs ENERGY= 798.2 kJ/mol
Energy+ZPE= 767.9 kJ/mol ZPE= 0.0380004
CONNECTIONS:
o EQ270 o DDC632
[ TS2052 ] Animation C1 ENERGY= 846.0 kJ/mol
Energy+ZPE= 820.3 kJ/mol ZPE= 0.0397606
CONNECTIONS:
o EQ270 o DDC633
[ TS2053 ] Animation Cs ENERGY= 753.6 kJ/mol
Energy+ZPE= 738.6 kJ/mol ZPE= 0.0438461
CONNECTIONS:
o EQ271 o EQ271
[ TS2054 ] Animation C1 ENERGY= 1006.2 kJ/mol
Energy+ZPE= 990.5 kJ/mol ZPE= 0.0435532
CONNECTIONS:
o EQ271 o EQ320
[ TS2055 ] Animation C1 ENERGY= 736.1 kJ/mol
Energy+ZPE= 718.0 kJ/mol ZPE= 0.0426410
CONNECTIONS:
o EQ271 o DDC634
[ TS2056 ] Animation C1 ENERGY= 739.7 kJ/mol
Energy+ZPE= 722.7 kJ/mol ZPE= 0.0430704
CONNECTIONS:
o EQ271 o DDC635
[ TS2057 ] Animation C1 ENERGY= 742.7 kJ/mol
Energy+ZPE= 722.7 kJ/mol ZPE= 0.0419209
CONNECTIONS:
o EQ271 o DDC636
[ TS2058 ] Animation C1 ENERGY= 752.6 kJ/mol
Energy+ZPE= 732.6 kJ/mol ZPE= 0.0419407
CONNECTIONS:
o EQ271 o DDC637
[ TS2059 ] Animation C1 ENERGY= 752.7 kJ/mol
Energy+ZPE= 736.6 kJ/mol ZPE= 0.0434292
CONNECTIONS:
o EQ271 o DDC638
[ TS2060 ] Animation C1 ENERGY= 786.3 kJ/mol
Energy+ZPE= 762.3 kJ/mol ZPE= 0.0404233
CONNECTIONS:
o EQ271 o DDC639
[ TS2061 ] Animation C1 ENERGY= 836.9 kJ/mol
Energy+ZPE= 808.1 kJ/mol ZPE= 0.0385953
CONNECTIONS:
o EQ271 o DDC640
[ TS2062 ] Animation C1 ENERGY= 838.1 kJ/mol
Energy+ZPE= 809.4 kJ/mol ZPE= 0.0386130
CONNECTIONS:
o EQ271 o DDC641
[ TS2063 ] Animation C2 ENERGY= 735.9 kJ/mol
Energy+ZPE= 726.6 kJ/mol ZPE= 0.0460072
CONNECTIONS:
o EQ272 o EQ289
[ TS2064 ] Animation C1 ENERGY= 1068.2 kJ/mol
Energy+ZPE= 1038.9 kJ/mol ZPE= 0.0383852
CONNECTIONS:
o EQ272 o EQ310
[ TS2065 ] Animation C1 ENERGY= 911.6 kJ/mol
Energy+ZPE= 895.9 kJ/mol ZPE= 0.0435684
CONNECTIONS:
o EQ272 o EQ329
[ TS2066 ] Animation C1 ENERGY= 897.3 kJ/mol
Energy+ZPE= 882.2 kJ/mol ZPE= 0.0438148
CONNECTIONS:
o EQ272 o EQ330
[ TS2067 ] Animation C1 ENERGY= 1075.0 kJ/mol
Energy+ZPE= 1049.1 kJ/mol ZPE= 0.0396718
CONNECTIONS:
o EQ272 o EQ464
[ TS2068 ] Animation C1 ENERGY= 1111.2 kJ/mol
Energy+ZPE= 1090.9 kJ/mol ZPE= 0.0418031
CONNECTIONS:
o EQ272 o EQ477
[ TS2069 ] Animation C1 ENERGY= 900.2 kJ/mol
Energy+ZPE= 879.7 kJ/mol ZPE= 0.0417419
CONNECTIONS:
o EQ272 o DDC642
[ TS2070 ] Animation Cs ENERGY= 718.4 kJ/mol
Energy+ZPE= 703.4 kJ/mol ZPE= 0.0438266
CONNECTIONS:
o EQ273 o EQ273
[ TS2071 ] Animation C1 ENERGY= 736.9 kJ/mol
Energy+ZPE= 720.8 kJ/mol ZPE= 0.0434277
CONNECTIONS:
o EQ273 o EQ275
[ TS2072 ] Animation C1 ENERGY= 729.7 kJ/mol
Energy+ZPE= 713.1 kJ/mol ZPE= 0.0432333
CONNECTIONS:
o EQ273 o EQ284
[ TS2073 ] Animation C1 ENERGY= 826.5 kJ/mol
Energy+ZPE= 807.0 kJ/mol ZPE= 0.0421329
CONNECTIONS:
o EQ273 o DDC643
[ TS2074 ] Animation C1 ENERGY= 829.5 kJ/mol
Energy+ZPE= 809.5 kJ/mol ZPE= 0.0419349
CONNECTIONS:
o EQ273 o DDC644
[ TS2075 ] Animation C1 ENERGY= 857.8 kJ/mol
Energy+ZPE= 835.4 kJ/mol ZPE= 0.0410292
CONNECTIONS:
o EQ273 o DDC645
[ TS2076 ] Animation C1 ENERGY= 722.1 kJ/mol
Energy+ZPE= 704.5 kJ/mol ZPE= 0.0428283
CONNECTIONS:
o EQ274 o DDC646
[ TS2077 ] Animation Cs ENERGY= 718.7 kJ/mol
Energy+ZPE= 703.6 kJ/mol ZPE= 0.0437998
CONNECTIONS:
o EQ275 o EQ275
[ TS2078 ] Animation C1 ENERGY= 729.4 kJ/mol
Energy+ZPE= 712.5 kJ/mol ZPE= 0.0430916
CONNECTIONS:
o EQ275 o EQ283
[ TS2079 ] Animation C1 ENERGY= 993.3 kJ/mol
Energy+ZPE= 975.8 kJ/mol ZPE= 0.0428903
CONNECTIONS:
o EQ275 o EQ418
[ TS2080 ] Animation C1 ENERGY= 1031.8 kJ/mol
Energy+ZPE= 1011.2 kJ/mol ZPE= 0.0416860
CONNECTIONS:
o EQ275 o EQ446
[ TS2081 ] Animation C1 ENERGY= 761.6 kJ/mol
Energy+ZPE= 737.1 kJ/mol ZPE= 0.0401971
CONNECTIONS:
o EQ275 o DDC647
[ TS2082 ] Animation C1 ENERGY= 798.2 kJ/mol
Energy+ZPE= 775.5 kJ/mol ZPE= 0.0408839
CONNECTIONS:
o EQ275 o DDC648
[ TS2083 ] Animation C1 ENERGY= 837.8 kJ/mol
Energy+ZPE= 817.9 kJ/mol ZPE= 0.0419712
CONNECTIONS:
o EQ275 o DDC649
[ TS2084 ] Animation C1 ENERGY= 864.1 kJ/mol
Energy+ZPE= 840.6 kJ/mol ZPE= 0.0405849
CONNECTIONS:
o EQ275 o DDC650
[ TS2085 ] Animation C1 ENERGY= 872.7 kJ/mol
Energy+ZPE= 849.7 kJ/mol ZPE= 0.0407716
CONNECTIONS:
o EQ275 o DDC651
[ TS2086 ] Animation C1 ENERGY= 719.0 kJ/mol
Energy+ZPE= 705.5 kJ/mol ZPE= 0.0444169
CONNECTIONS:
o EQ276 o DDC652
[ TS2087 ] Animation C1 ENERGY= 725.1 kJ/mol
Energy+ZPE= 709.3 kJ/mol ZPE= 0.0435447
CONNECTIONS:
o EQ276 o DDC653
[ TS2088 ] Animation C1 ENERGY= 819.5 kJ/mol
Energy+ZPE= 802.0 kJ/mol ZPE= 0.0428853
CONNECTIONS:
o EQ277 o EQ278
[ TS2089 ] Animation C1 ENERGY= 861.8 kJ/mol
Energy+ZPE= 845.9 kJ/mol ZPE= 0.0434726
CONNECTIONS:
o EQ277 o EQ292
[ TS2090 ] Animation C1 ENERGY= 965.3 kJ/mol
Energy+ZPE= 946.6 kJ/mol ZPE= 0.0424186
CONNECTIONS:
o EQ277 o EQ339
[ TS2091 ] Animation C1 ENERGY= 965.4 kJ/mol
Energy+ZPE= 946.6 kJ/mol ZPE= 0.0423807
CONNECTIONS:
o EQ277 o EQ339
[ TS2092 ] Animation C1 ENERGY= 873.5 kJ/mol
Energy+ZPE= 851.7 kJ/mol ZPE= 0.0412368
CONNECTIONS:
o EQ277 o DDC654
[ TS2093 ] Animation C1 ENERGY= 789.6 kJ/mol
Energy+ZPE= 774.5 kJ/mol ZPE= 0.0438078
CONNECTIONS:
o EQ278 o EQ303
[ TS2094 ] Animation C1 ENERGY= 956.8 kJ/mol
Energy+ZPE= 938.7 kJ/mol ZPE= 0.0426420
CONNECTIONS:
o EQ278 o EQ325
[ TS2095 ] Animation Cs ENERGY= 857.8 kJ/mol
Energy+ZPE= 831.0 kJ/mol ZPE= 0.0393557
CONNECTIONS:
o EQ278 o DDC655
[ TS2096 ] Animation C1 ENERGY= 873.5 kJ/mol
Energy+ZPE= 851.9 kJ/mol ZPE= 0.0413155
CONNECTIONS:
o EQ278 o DDC656
[ TS2097 ] Animation C1 ENERGY= 955.0 kJ/mol
Energy+ZPE= 924.5 kJ/mol ZPE= 0.0379369
CONNECTIONS:
o EQ278 o DDC657
[ TS2098 ] Animation C1 ENERGY= 1014.9 kJ/mol
Energy+ZPE= 984.7 kJ/mol ZPE= 0.0380516
CONNECTIONS:
o EQ278 o DDC658
[ TS2099 ] Animation C1 ENERGY= 724.1 kJ/mol
Energy+ZPE= 708.6 kJ/mol ZPE= 0.0436364
CONNECTIONS:
o EQ279 o DDC659
[ TS2100 ] Animation C1 ENERGY= 1061.9 kJ/mol
Energy+ZPE= 1038.4 kJ/mol ZPE= 0.0405869
CONNECTIONS:
o EQ280 o EQ318
[ TS2101 ] Animation C1 ENERGY= 988.0 kJ/mol
Energy+ZPE= 971.9 kJ/mol ZPE= 0.0434219
CONNECTIONS:
o EQ280 o EQ330
[ TS2102 ] Animation C2 ENERGY= 949.5 kJ/mol
Energy+ZPE= 934.3 kJ/mol ZPE= 0.0437502
CONNECTIONS:
o EQ280 o EQ335
[ TS2103 ] Animation C2 ENERGY= 922.0 kJ/mol
Energy+ZPE= 907.6 kJ/mol ZPE= 0.0440491
CONNECTIONS:
o EQ280 o EQ356
[ TS2104 ] Animation C1 ENERGY= 980.8 kJ/mol
Energy+ZPE= 959.9 kJ/mol ZPE= 0.0415750
CONNECTIONS:
o EQ280 o EQ361
[ TS2105 ] Animation C1 ENERGY= 872.6 kJ/mol
Energy+ZPE= 858.2 kJ/mol ZPE= 0.0440802
CONNECTIONS:
o EQ280 o DDC660
[ TS2106 ] Animation Cs ENERGY= 920.7 kJ/mol
Energy+ZPE= 904.9 kJ/mol ZPE= 0.0435215
CONNECTIONS:
o EQ280 o DDC661
[ TS2107 ] Animation C1 ENERGY= 1048.0 kJ/mol
Energy+ZPE= 1028.7 kJ/mol ZPE= 0.0421927
CONNECTIONS:
o EQ280 o DDC662
[ TS2108 ] Animation C1 ENERGY= 1082.8 kJ/mol
Energy+ZPE= 1057.3 kJ/mol ZPE= 0.0398178
CONNECTIONS:
o EQ281 o DDC663
[ TS2109 ] Animation Cs ENERGY= 723.2 kJ/mol
Energy+ZPE= 705.1 kJ/mol ZPE= 0.0426450
CONNECTIONS:
o EQ282 o EQ282
[ TS2110 ] Animation Cs ENERGY= 807.7 kJ/mol
Energy+ZPE= 776.1 kJ/mol ZPE= 0.0375118
CONNECTIONS:
o EQ282 o DDC664
[ TS2111 ] Animation C1 ENERGY= 824.9 kJ/mol
Energy+ZPE= 797.3 kJ/mol ZPE= 0.0390223
CONNECTIONS:
o EQ282 o DDC665
[ TS2112 ] Animation C1 ENERGY= 758.1 kJ/mol
Energy+ZPE= 732.9 kJ/mol ZPE= 0.0399473
CONNECTIONS:
o EQ283 o DDC666
[ TS2113 ] Animation C1 ENERGY= 803.5 kJ/mol
Energy+ZPE= 779.5 kJ/mol ZPE= 0.0404241
CONNECTIONS:
o EQ283 o DDC667
[ TS2114 ] Animation C1 ENERGY= 866.1 kJ/mol
Energy+ZPE= 840.9 kJ/mol ZPE= 0.0399395
CONNECTIONS:
o EQ283 o DDC668
[ TS2115 ] Animation C1 ENERGY= 869.9 kJ/mol
Energy+ZPE= 845.6 kJ/mol ZPE= 0.0402738
CONNECTIONS:
o EQ283 o DDC669
[ TS2116 ] Animation C1 ENERGY= 1006.0 kJ/mol
Energy+ZPE= 957.3 kJ/mol ZPE= 0.0309955
CONNECTIONS:
o EQ283 o DDC670
[ TS2117 ] Animation Cs ENERGY= 729.9 kJ/mol
Energy+ZPE= 713.4 kJ/mol ZPE= 0.0432678
CONNECTIONS:
o EQ284 o EQ284
[ TS2118 ] Animation C1 ENERGY= 858.5 kJ/mol
Energy+ZPE= 835.6 kJ/mol ZPE= 0.0408293
CONNECTIONS:
o EQ284 o DDC671
[ TS2119 ] Animation C1 ENERGY= 1031.3 kJ/mol
Energy+ZPE= 1002.2 kJ/mol ZPE= 0.0384644
CONNECTIONS:
o EQ284 o DDC672
[ TS2120 ] Animation C1 ENERGY= 890.8 kJ/mol
Energy+ZPE= 876.1 kJ/mol ZPE= 0.0439591
CONNECTIONS:
o EQ285 o EQ319
[ TS2121 ] Animation C1 ENERGY= 1099.1 kJ/mol
Energy+ZPE= 1076.1 kJ/mol ZPE= 0.0407758
CONNECTIONS:
o EQ285 o EQ393
[ TS2122 ] Animation C1 ENERGY= 852.9 kJ/mol
Energy+ZPE= 836.6 kJ/mol ZPE= 0.0433492
CONNECTIONS:
o EQ285 o DDC673
[ TS2123 ] Animation C1 ENERGY= 864.1 kJ/mol
Energy+ZPE= 847.5 kJ/mol ZPE= 0.0432131
CONNECTIONS:
o EQ285 o DDC674
[ TS2124 ] Animation C1 ENERGY= 874.9 kJ/mol
Energy+ZPE= 857.2 kJ/mol ZPE= 0.0428213
CONNECTIONS:
o EQ285 o DDC675
[ TS2125 ] Animation C1 ENERGY= 877.2 kJ/mol
Energy+ZPE= 861.7 kJ/mol ZPE= 0.0436395
CONNECTIONS:
o EQ285 o DDC676
[ TS2126 ] Animation Cs ENERGY= 881.1 kJ/mol
Energy+ZPE= 864.4 kJ/mol ZPE= 0.0431833
CONNECTIONS:
o EQ285 o DDC677
[ TS2127 ] Animation Cs ENERGY= 748.2 kJ/mol
Energy+ZPE= 732.0 kJ/mol ZPE= 0.0433947
CONNECTIONS:
o EQ286 o EQ286
[ TS2128 ] Animation C1 ENERGY= 857.0 kJ/mol
Energy+ZPE= 836.8 kJ/mol ZPE= 0.0418717
CONNECTIONS:
o EQ286 o EQ287
[ TS2129 ] Animation C1 ENERGY= 734.5 kJ/mol
Energy+ZPE= 718.9 kJ/mol ZPE= 0.0436219
CONNECTIONS:
o EQ286 o DDC678
[ TS2130 ] Animation Cs ENERGY= 743.4 kJ/mol
Energy+ZPE= 726.7 kJ/mol ZPE= 0.0431786
CONNECTIONS:
o EQ287 o EQ287
[ TS2131 ] Animation C1 ENERGY= 788.0 kJ/mol
Energy+ZPE= 763.4 kJ/mol ZPE= 0.0401631
CONNECTIONS:
o EQ287 o DDC679
[ TS2132 ] Animation Cs ENERGY= 860.4 kJ/mol
Energy+ZPE= 822.4 kJ/mol ZPE= 0.0350823
CONNECTIONS:
o EQ287 o DDC680
[ TS2133 ] Animation C1 ENERGY= 737.5 kJ/mol
Energy+ZPE= 722.4 kJ/mol ZPE= 0.0437774
CONNECTIONS:
o EQ288 o DDC681
[ TS2134 ] Animation C1 ENERGY= 756.1 kJ/mol
Energy+ZPE= 732.8 kJ/mol ZPE= 0.0406846
CONNECTIONS:
o EQ288 o DDC682
[ TS2135 ] Animation C1 ENERGY= 803.7 kJ/mol
Energy+ZPE= 780.1 kJ/mol ZPE= 0.0405771
CONNECTIONS:
o EQ288 o DDC683
[ TS2136 ] Animation C2v ENERGY= 747.2 kJ/mol
Energy+ZPE= 738.0 kJ/mol ZPE= 0.0460554
CONNECTIONS:
o EQ289 o EQ289
[ TS2137 ] Animation C1 ENERGY= 925.7 kJ/mol
Energy+ZPE= 910.2 kJ/mol ZPE= 0.0436579
CONNECTIONS:
o EQ289 o EQ330
[ TS2138 ] Animation C1 ENERGY= 925.5 kJ/mol
Energy+ZPE= 909.9 kJ/mol ZPE= 0.0436221
CONNECTIONS:
o EQ289 o EQ346
[ TS2139 ] Animation C1 ENERGY= 947.9 kJ/mol
Energy+ZPE= 932.2 kJ/mol ZPE= 0.0435710
CONNECTIONS:
o EQ289 o EQ351
[ TS2140 ] Animation C1 ENERGY= 1083.4 kJ/mol
Energy+ZPE= 1057.8 kJ/mol ZPE= 0.0397978
CONNECTIONS:
o EQ289 o EQ466
[ TS2141 ] Animation C1 ENERGY= 1084.8 kJ/mol
Energy+ZPE= 1058.9 kJ/mol ZPE= 0.0396689
CONNECTIONS:
o EQ289 o EQ468
[ TS2142 ] Animation C1 ENERGY= 1130.5 kJ/mol
Energy+ZPE= 1109.7 kJ/mol ZPE= 0.0416151
CONNECTIONS:
o EQ289 o EQ484
[ TS2143 ] Animation C1 ENERGY= 909.2 kJ/mol
Energy+ZPE= 888.5 kJ/mol ZPE= 0.0416474
CONNECTIONS:
o EQ289 o DDC684
[ TS2144 ] Animation C1 ENERGY= 913.1 kJ/mol
Energy+ZPE= 891.5 kJ/mol ZPE= 0.0413027
CONNECTIONS:
o EQ289 o DDC685
[ TS2145 ] Animation C1 ENERGY= 976.1 kJ/mol
Energy+ZPE= 959.3 kJ/mol ZPE= 0.0431299
CONNECTIONS:
o EQ289 o DDC686
[ TS2146 ] Animation C1 ENERGY= 764.6 kJ/mol
Energy+ZPE= 744.5 kJ/mol ZPE= 0.0418962
CONNECTIONS:
o EQ290 o DDC687
[ TS2147 ] Animation C1 ENERGY= 802.0 kJ/mol
Energy+ZPE= 775.8 kJ/mol ZPE= 0.0395835
CONNECTIONS:
o EQ290 o DDC688
[ TS2148 ] Animation C1 ENERGY= 837.0 kJ/mol
Energy+ZPE= 807.9 kJ/mol ZPE= 0.0384512
CONNECTIONS:
o EQ290 o DDC689
[ TS2149 ] Animation C1 ENERGY= 790.4 kJ/mol
Energy+ZPE= 774.4 kJ/mol ZPE= 0.0434610
CONNECTIONS:
o EQ291 o EQ297
[ TS2150 ] Animation C1 ENERGY= 740.4 kJ/mol
Energy+ZPE= 721.5 kJ/mol ZPE= 0.0423310
CONNECTIONS:
o EQ291 o DDC690
[ TS2151 ] Animation C1 ENERGY= 740.5 kJ/mol
Energy+ZPE= 716.0 kJ/mol ZPE= 0.0402246
CONNECTIONS:
o EQ291 o DDC691
[ TS2152 ] Animation C1 ENERGY= 796.6 kJ/mol
Energy+ZPE= 767.2 kJ/mol ZPE= 0.0383316
CONNECTIONS:
o EQ291 o DDC692
[ TS2153 ] Animation Cs ENERGY= 742.4 kJ/mol
Energy+ZPE= 730.9 kJ/mol ZPE= 0.0451821
CONNECTIONS:
o EQ292 o EQ292
[ TS2154 ] Animation C1 ENERGY= 770.1 kJ/mol
Energy+ZPE= 755.2 kJ/mol ZPE= 0.0438740
CONNECTIONS:
o EQ292 o EQ294
[ TS2155 ] Animation C1 ENERGY= 773.1 kJ/mol
Energy+ZPE= 758.3 kJ/mol ZPE= 0.0438984
CONNECTIONS:
o EQ292 o EQ294
[ TS2156 ] Animation C1 ENERGY= 1021.5 kJ/mol
Energy+ZPE= 1002.5 kJ/mol ZPE= 0.0423002
CONNECTIONS:
o EQ292 o DDC693
[ TS2157 ] Animation C1 ENERGY= 1034.4 kJ/mol
Energy+ZPE= 1011.3 kJ/mol ZPE= 0.0407341
CONNECTIONS:
o EQ292 o DDC694
[ TS2158 ] Animation Cs ENERGY= 883.8 kJ/mol
Energy+ZPE= 865.9 kJ/mol ZPE= 0.0427459
CONNECTIONS:
o EQ293 o EQ297
[ TS2159 ] Animation Cs ENERGY= 1082.4 kJ/mol
Energy+ZPE= 1051.0 kJ/mol ZPE= 0.0375735
CONNECTIONS:
o EQ293 o EQ395
[ TS2160 ] Animation C1 ENERGY= 760.4 kJ/mol
Energy+ZPE= 745.0 kJ/mol ZPE= 0.0436675
CONNECTIONS:
o EQ293 o DDC695
[ TS2161 ] Animation C1 ENERGY= 785.4 kJ/mol
Energy+ZPE= 768.6 kJ/mol ZPE= 0.0431362
CONNECTIONS:
o EQ293 o DDC696
[ TS2162 ] Animation Cs ENERGY= 807.2 kJ/mol
Energy+ZPE= 782.4 kJ/mol ZPE= 0.0400965
CONNECTIONS:
o EQ293 o DDC697
[ TS2163 ] Animation C1 ENERGY= 807.7 kJ/mol
Energy+ZPE= 786.3 kJ/mol ZPE= 0.0413962
CONNECTIONS:
o EQ293 o DDC698
[ TS2164 ] Animation Cs ENERGY= 753.4 kJ/mol
Energy+ZPE= 741.2 kJ/mol ZPE= 0.0449039
CONNECTIONS:
o EQ294 o EQ294
[ TS2165 ] Animation C1 ENERGY= 933.8 kJ/mol
Energy+ZPE= 917.4 kJ/mol ZPE= 0.0432886
CONNECTIONS:
o EQ294 o EQ313
[ TS2166 ] Animation C1 ENERGY= 1025.8 kJ/mol
Energy+ZPE= 1006.6 kJ/mol ZPE= 0.0422360
CONNECTIONS:
o EQ294 o EQ456
[ TS2167 ] Animation C1 ENERGY= 1028.3 kJ/mol
Energy+ZPE= 1008.6 kJ/mol ZPE= 0.0420428
CONNECTIONS:
o EQ294 o EQ457
[ TS2168 ] Animation C1 ENERGY= 1017.5 kJ/mol
Energy+ZPE= 998.2 kJ/mol ZPE= 0.0421878
CONNECTIONS:
o EQ294 o DDC699
[ TS2169 ] Animation Cs ENERGY= 751.1 kJ/mol
Energy+ZPE= 740.1 kJ/mol ZPE= 0.0453620
CONNECTIONS:
o EQ295 o EQ295
[ TS2170 ] Animation C1 ENERGY= 748.5 kJ/mol
Energy+ZPE= 737.0 kJ/mol ZPE= 0.0451591
CONNECTIONS:
o EQ295 o EQ298
[ TS2171 ] Animation C1 ENERGY= 984.7 kJ/mol
Energy+ZPE= 962.8 kJ/mol ZPE= 0.0411872
CONNECTIONS:
o EQ295 o EQ389
[ TS2172 ] Animation C1 ENERGY= 1092.9 kJ/mol
Energy+ZPE= 1073.3 kJ/mol ZPE= 0.0420988
CONNECTIONS:
o EQ295 o EQ447
[ TS2173 ] Animation C1 ENERGY= 1098.6 kJ/mol
Energy+ZPE= 1077.7 kJ/mol ZPE= 0.0415852
CONNECTIONS:
o EQ295 o EQ486
[ TS2174 ] Animation C1 ENERGY= 1122.2 kJ/mol
Energy+ZPE= 1099.6 kJ/mol ZPE= 0.0409472
CONNECTIONS:
o EQ295 o EQ506
[ TS2175 ] Animation C1 ENERGY= 1009.2 kJ/mol
Energy+ZPE= 986.7 kJ/mol ZPE= 0.0409873
CONNECTIONS:
o EQ295 o DDC700
[ TS2176 ] Animation C1 ENERGY= 757.3 kJ/mol
Energy+ZPE= 738.0 kJ/mol ZPE= 0.0422054
CONNECTIONS:
o EQ296 o DDC701
[ TS2177 ] Animation Cs ENERGY= 771.8 kJ/mol
Energy+ZPE= 745.1 kJ/mol ZPE= 0.0393850
CONNECTIONS:
o EQ296 o DDC702
[ TS2178 ] Animation C1 ENERGY= 772.8 kJ/mol
Energy+ZPE= 745.9 kJ/mol ZPE= 0.0392903
CONNECTIONS:
o EQ296 o DDC703
[ TS2179 ] Animation C1 ENERGY= 807.6 kJ/mol
Energy+ZPE= 770.1 kJ/mol ZPE= 0.0352733
CONNECTIONS:
o EQ296 o DDC704
[ TS2180 ] Animation C1 ENERGY= 767.5 kJ/mol
Energy+ZPE= 751.8 kJ/mol ZPE= 0.0435612
CONNECTIONS:
o EQ297 o EQ300
[ TS2181 ] Animation C1 ENERGY= 897.9 kJ/mol
Energy+ZPE= 868.3 kJ/mol ZPE= 0.0382724
CONNECTIONS:
o EQ297 o EQ347
[ TS2182 ] Animation Cs ENERGY= 1102.1 kJ/mol
Energy+ZPE= 1071.4 kJ/mol ZPE= 0.0378676
CONNECTIONS:
o EQ297 o EQ403
[ TS2183 ] Animation C1 ENERGY= 865.4 kJ/mol
Energy+ZPE= 836.1 kJ/mol ZPE= 0.0383873
CONNECTIONS:
o EQ297 o DDC705
[ TS2184 ] Animation C1 ENERGY= 869.6 kJ/mol
Energy+ZPE= 841.3 kJ/mol ZPE= 0.0387636
CONNECTIONS:
o EQ297 o DDC706
[ TS2185 ] Animation C1 ENERGY= 870.5 kJ/mol
Energy+ZPE= 842.3 kJ/mol ZPE= 0.0388074
CONNECTIONS:
o EQ297 o DDC707
[ TS2186 ] Animation C1 ENERGY= 1004.9 kJ/mol
Energy+ZPE= 981.1 kJ/mol ZPE= 0.0404669
CONNECTIONS:
o EQ298 o EQ388
[ TS2187 ] Animation C1 ENERGY= 959.0 kJ/mol
Energy+ZPE= 920.0 kJ/mol ZPE= 0.0346978
CONNECTIONS:
o EQ299 o DDC708
[ TS2188 ] Animation C1 ENERGY= 789.4 kJ/mol
Energy+ZPE= 778.0 kJ/mol ZPE= 0.0451885
CONNECTIONS:
o EQ301 o EQ301
[ TS2189 ] Animation C1 ENERGY= 794.6 kJ/mol
Energy+ZPE= 782.9 kJ/mol ZPE= 0.0451036
CONNECTIONS:
o EQ301 o EQ301
[ TS2190 ] Animation Cs ENERGY= 922.3 kJ/mol
Energy+ZPE= 902.4 kJ/mol ZPE= 0.0419802
CONNECTIONS:
o EQ301 o EQ301
[ TS2191 ] Animation Cs ENERGY= 970.7 kJ/mol
Energy+ZPE= 953.7 kJ/mol ZPE= 0.0430635
CONNECTIONS:
o EQ301 o EQ301
[ TS2192 ] Animation Cs ENERGY= 1115.9 kJ/mol
Energy+ZPE= 1091.1 kJ/mol ZPE= 0.0401195
CONNECTIONS:
o EQ301 o EQ301
[ TS2193 ] Animation C1 ENERGY= 1148.0 kJ/mol
Energy+ZPE= 1121.5 kJ/mol ZPE= 0.0394388
CONNECTIONS:
o EQ301 o EQ308
[ TS2194 ] Animation C1 ENERGY= 1148.1 kJ/mol
Energy+ZPE= 1120.2 kJ/mol ZPE= 0.0389168
CONNECTIONS:
o EQ301 o EQ308
[ TS2195 ] Animation C1 ENERGY= 920.4 kJ/mol
Energy+ZPE= 899.1 kJ/mol ZPE= 0.0414355
CONNECTIONS:
o EQ301 o EQ318
[ TS2196 ] Animation C1 ENERGY= 961.3 kJ/mol
Energy+ZPE= 938.0 kJ/mol ZPE= 0.0406655
CONNECTIONS:
o EQ301 o EQ343
[ TS2197 ] Animation C1 ENERGY= 998.1 kJ/mol
Energy+ZPE= 972.4 kJ/mol ZPE= 0.0397730
CONNECTIONS:
o EQ301 o EQ343
[ TS2198 ] Animation C1 ENERGY= 1018.0 kJ/mol
Energy+ZPE= 997.4 kJ/mol ZPE= 0.0416903
CONNECTIONS:
o EQ301 o EQ358
[ TS2199 ] Animation Cs ENERGY= 1057.4 kJ/mol
Energy+ZPE= 1031.0 kJ/mol ZPE= 0.0394950
CONNECTIONS:
o EQ301 o EQ358
[ TS2200 ] Animation C1 ENERGY= 1003.1 kJ/mol
Energy+ZPE= 978.4 kJ/mol ZPE= 0.0401326
CONNECTIONS:
o EQ301 o EQ361
[ TS2201 ] Animation C1 ENERGY= 1041.7 kJ/mol
Energy+ZPE= 1019.9 kJ/mol ZPE= 0.0412297
CONNECTIONS:
o EQ301 o EQ370
[ TS2202 ] Animation C1 ENERGY= 1003.6 kJ/mol
Energy+ZPE= 983.2 kJ/mol ZPE= 0.0417836
CONNECTIONS:
o EQ301 o EQ372
[ TS2203 ] Animation C1 ENERGY= 995.7 kJ/mol
Energy+ZPE= 971.2 kJ/mol ZPE= 0.0402065
CONNECTIONS:
o EQ301 o EQ373
[ TS2204 ] Animation C1 ENERGY= 1005.4 kJ/mol
Energy+ZPE= 982.7 kJ/mol ZPE= 0.0408926
CONNECTIONS:
o EQ301 o EQ375
[ TS2205 ] Animation C1 ENERGY= 999.2 kJ/mol
Energy+ZPE= 973.9 kJ/mol ZPE= 0.0399137
CONNECTIONS:
o EQ301 o EQ378
[ TS2206 ] Animation C1 ENERGY= 913.4 kJ/mol
Energy+ZPE= 895.4 kJ/mol ZPE= 0.0426994
CONNECTIONS:
o EQ301 o EQ385
[ TS2207 ] Animation C1 ENERGY= 1072.7 kJ/mol
Energy+ZPE= 1045.6 kJ/mol ZPE= 0.0392393
CONNECTIONS:
o EQ301 o EQ392
[ TS2208 ] Animation C1 ENERGY= 1136.3 kJ/mol
Energy+ZPE= 1103.3 kJ/mol ZPE= 0.0369930
CONNECTIONS:
o EQ301 o EQ400
[ TS2209 ] Animation C1 ENERGY= 1116.0 kJ/mol
Energy+ZPE= 1092.3 kJ/mol ZPE= 0.0405116
CONNECTIONS:
o EQ301 o EQ415
[ TS2210 ] Animation C1 ENERGY= 965.9 kJ/mol
Energy+ZPE= 945.4 kJ/mol ZPE= 0.0417365
CONNECTIONS:
o EQ301 o EQ417
[ TS2211 ] Animation C1 ENERGY= 975.4 kJ/mol
Energy+ZPE= 956.3 kJ/mol ZPE= 0.0422638
CONNECTIONS:
o EQ301 o EQ421
[ TS2212 ] Animation C1 ENERGY= 1279.7 kJ/mol
Energy+ZPE= 1258.3 kJ/mol ZPE= 0.0414128
CONNECTIONS:
o EQ301 o EQ421
[ TS2213 ] Animation C1 ENERGY= 1037.9 kJ/mol
Energy+ZPE= 1016.4 kJ/mol ZPE= 0.0413738
CONNECTIONS:
o EQ301 o EQ451
[ TS2214 ] Animation C1 ENERGY= 1103.8 kJ/mol
Energy+ZPE= 1087.4 kJ/mol ZPE= 0.0432881
CONNECTIONS:
o EQ301 o EQ451
[ TS2215 ] Animation C1 ENERGY= 1033.7 kJ/mol
Energy+ZPE= 1014.3 kJ/mol ZPE= 0.0421542
CONNECTIONS:
o EQ301 o EQ454
[ TS2216 ] Animation C1 ENERGY= 1096.7 kJ/mol
Energy+ZPE= 1079.7 kJ/mol ZPE= 0.0430893
CONNECTIONS:
o EQ301 o EQ454
[ TS2217 ] Animation C1 ENERGY= 1049.2 kJ/mol
Energy+ZPE= 1026.8 kJ/mol ZPE= 0.0410303
CONNECTIONS:
o EQ301 o EQ470
[ TS2218 ] Animation C1 ENERGY= 1051.7 kJ/mol
Energy+ZPE= 1029.0 kJ/mol ZPE= 0.0409116
CONNECTIONS:
o EQ301 o EQ471
[ TS2219 ] Animation C1 ENERGY= 1109.9 kJ/mol
Energy+ZPE= 1081.3 kJ/mol ZPE= 0.0386603
CONNECTIONS:
o EQ301 o EQ475
[ TS2220 ] Animation C1 ENERGY= 1107.5 kJ/mol
Energy+ZPE= 1079.0 kJ/mol ZPE= 0.0386780
CONNECTIONS:
o EQ301 o EQ476
[ TS2221 ] Animation C1 ENERGY= 1052.6 kJ/mol
Energy+ZPE= 1031.1 kJ/mol ZPE= 0.0413765
CONNECTIONS:
o EQ301 o EQ478
[ TS2222 ] Animation C1 ENERGY= 1052.7 kJ/mol
Energy+ZPE= 1031.3 kJ/mol ZPE= 0.0413821
CONNECTIONS:
o EQ301 o EQ479
[ TS2223 ] Animation C1 ENERGY= 1110.8 kJ/mol
Energy+ZPE= 1082.0 kJ/mol ZPE= 0.0385909
CONNECTIONS:
o EQ301 o EQ480
[ TS2224 ] Animation C1 ENERGY= 1118.3 kJ/mol
Energy+ZPE= 1094.8 kJ/mol ZPE= 0.0405815
CONNECTIONS:
o EQ301 o EQ486
[ TS2225 ] Animation C1 ENERGY= 1112.9 kJ/mol
Energy+ZPE= 1085.8 kJ/mol ZPE= 0.0392089
CONNECTIONS:
o EQ301 o EQ493
[ TS2226 ] Animation C1 ENERGY= 1116.8 kJ/mol
Energy+ZPE= 1089.4 kJ/mol ZPE= 0.0391167
CONNECTIONS:
o EQ301 o EQ496
[ TS2227 ] Animation C1 ENERGY= 1121.9 kJ/mol
Energy+ZPE= 1097.9 kJ/mol ZPE= 0.0404240
CONNECTIONS:
o EQ301 o EQ505
[ TS2228 ] Animation C1 ENERGY= 1104.1 kJ/mol
Energy+ZPE= 1080.7 kJ/mol ZPE= 0.0406341
CONNECTIONS:
o EQ301 o EQ507
[ TS2229 ] Animation C1 ENERGY= 1112.8 kJ/mol
Energy+ZPE= 1088.2 kJ/mol ZPE= 0.0401959
CONNECTIONS:
o EQ301 o EQ507
[ TS2230 ] Animation C1 ENERGY= 1203.3 kJ/mol
Energy+ZPE= 1177.9 kJ/mol ZPE= 0.0398885
CONNECTIONS:
o EQ301 o EQ539
[ TS2231 ] Animation C1 ENERGY= 1250.8 kJ/mol
Energy+ZPE= 1232.0 kJ/mol ZPE= 0.0423718
CONNECTIONS:
o EQ301 o EQ540
[ TS2232 ] Animation C1 ENERGY= 1292.0 kJ/mol
Energy+ZPE= 1270.6 kJ/mol ZPE= 0.0413879
CONNECTIONS:
o EQ301 o EQ540
[ TS2233 ] Animation C1 ENERGY= 1003.7 kJ/mol
Energy+ZPE= 978.5 kJ/mol ZPE= 0.0399638
CONNECTIONS:
o EQ301 o DDC709
[ TS2234 ] Animation C1 ENERGY= 1135.0 kJ/mol
Energy+ZPE= 1111.9 kJ/mol ZPE= 0.0407436
CONNECTIONS:
o EQ301 o DDC710
[ TS2235 ] Animation C1 ENERGY= 1193.6 kJ/mol
Energy+ZPE= 1164.2 kJ/mol ZPE= 0.0383528
CONNECTIONS:
o EQ301 o DDC711
[ TS2236 ] Animation C1 ENERGY= 1202.8 kJ/mol
Energy+ZPE= 1173.5 kJ/mol ZPE= 0.0383789
CONNECTIONS:
o EQ301 o DDC712
[ TS2237 ] Animation C1 ENERGY= 830.9 kJ/mol
Energy+ZPE= 802.5 kJ/mol ZPE= 0.0387175
CONNECTIONS:
o EQ302 o EQ317
[ TS2238 ] Animation C1 ENERGY= 770.5 kJ/mol
Energy+ZPE= 749.2 kJ/mol ZPE= 0.0414406
CONNECTIONS:
o EQ302 o DDC713
[ TS2239 ] Animation C1 ENERGY= 786.5 kJ/mol
Energy+ZPE= 762.9 kJ/mol ZPE= 0.0405621
CONNECTIONS:
o EQ302 o DDC714
[ TS2240 ] Animation C1 ENERGY= 846.3 kJ/mol
Energy+ZPE= 820.2 kJ/mol ZPE= 0.0395882
CONNECTIONS:
o EQ302 o DDC715
[ TS2241 ] Animation Cs ENERGY= 765.6 kJ/mol
Energy+ZPE= 750.4 kJ/mol ZPE= 0.0437471
CONNECTIONS:
o EQ303 o EQ303
[ TS2242 ] Animation Cs ENERGY= 868.8 kJ/mol
Energy+ZPE= 833.2 kJ/mol ZPE= 0.0359811
CONNECTIONS:
o EQ303 o DDC716
[ TS2243 ] Animation C1 ENERGY= 792.4 kJ/mol
Energy+ZPE= 774.3 kJ/mol ZPE= 0.0426567
CONNECTIONS:
o EQ304 o EQ311
[ TS2244 ] Animation C1 ENERGY= 824.8 kJ/mol
Energy+ZPE= 805.8 kJ/mol ZPE= 0.0423047
CONNECTIONS:
o EQ304 o EQ332
[ TS2245 ] Animation C1 ENERGY= 870.1 kJ/mol
Energy+ZPE= 840.5 kJ/mol ZPE= 0.0382675
CONNECTIONS:
o EQ304 o DDC717
[ TS2246 ] Animation C1 ENERGY= 889.1 kJ/mol
Energy+ZPE= 858.7 kJ/mol ZPE= 0.0379607
CONNECTIONS:
o EQ304 o DDC718
[ TS2247 ] Animation C1 ENERGY= 769.6 kJ/mol
Energy+ZPE= 745.0 kJ/mol ZPE= 0.0401959
CONNECTIONS:
o EQ305 o DDC719
[ TS2248 ] Animation C1 ENERGY= 778.8 kJ/mol
Energy+ZPE= 753.4 kJ/mol ZPE= 0.0398782
CONNECTIONS:
o EQ305 o DDC720
[ TS2249 ] Animation Cs ENERGY= 824.7 kJ/mol
Energy+ZPE= 791.0 kJ/mol ZPE= 0.0366970
CONNECTIONS:
o EQ305 o DDC721
[ TS2250 ] Animation C1 ENERGY= 813.5 kJ/mol
Energy+ZPE= 795.7 kJ/mol ZPE= 0.0427816
CONNECTIONS:
o EQ306 o EQ311
[ TS2251 ] Animation C1 ENERGY= 826.9 kJ/mol
Energy+ZPE= 806.9 kJ/mol ZPE= 0.0419326
CONNECTIONS:
o EQ306 o EQ332
[ TS2252 ] Animation Cs ENERGY= 773.5 kJ/mol
Energy+ZPE= 750.2 kJ/mol ZPE= 0.0406864
CONNECTIONS:
o EQ306 o DDC722
[ TS2253 ] Animation C1 ENERGY= 798.7 kJ/mol
Energy+ZPE= 781.8 kJ/mol ZPE= 0.0430942
CONNECTIONS:
o EQ306 o DDC723
[ TS2254 ] Animation Cs ENERGY= 773.3 kJ/mol
Energy+ZPE= 759.8 kJ/mol ZPE= 0.0443983
CONNECTIONS:
o EQ307 o EQ307
[ TS2255 ] Animation Cs ENERGY= 826.9 kJ/mol
Energy+ZPE= 815.7 kJ/mol ZPE= 0.0452717
CONNECTIONS:
o EQ307 o EQ307
[ TS2256 ] Animation C1 ENERGY= 814.6 kJ/mol
Energy+ZPE= 798.5 kJ/mol ZPE= 0.0434304
CONNECTIONS:
o EQ307 o EQ313
[ TS2257 ] Animation C1 ENERGY= 834.1 kJ/mol
Energy+ZPE= 817.8 kJ/mol ZPE= 0.0433349
CONNECTIONS:
o EQ307 o EQ313
[ TS2258 ] Animation C1 ENERGY= 965.9 kJ/mol
Energy+ZPE= 947.1 kJ/mol ZPE= 0.0423835
CONNECTIONS:
o EQ307 o EQ391
[ TS2259 ] Animation C1 ENERGY= 950.9 kJ/mol
Energy+ZPE= 932.8 kJ/mol ZPE= 0.0426510
CONNECTIONS:
o EQ307 o EQ402
[ TS2260 ] Animation C1 ENERGY= 1177.6 kJ/mol
Energy+ZPE= 1151.2 kJ/mol ZPE= 0.0394734
CONNECTIONS:
o EQ307 o EQ511
[ TS2261 ] Animation C1 ENERGY= 783.4 kJ/mol
Energy+ZPE= 757.2 kJ/mol ZPE= 0.0395815
CONNECTIONS:
o EQ307 o DDC724
[ TS2262 ] Animation C1 ENERGY= 1094.4 kJ/mol
Energy+ZPE= 1073.7 kJ/mol ZPE= 0.0416812
CONNECTIONS:
o EQ307 o DDC725
[ TS2263 ] Animation C1 ENERGY= 778.9 kJ/mol
Energy+ZPE= 763.4 kJ/mol ZPE= 0.0436250
CONNECTIONS:
o EQ308 o EQ310
[ TS2264 ] Animation C1 ENERGY= 796.8 kJ/mol
Energy+ZPE= 782.6 kJ/mol ZPE= 0.0441248
CONNECTIONS:
o EQ308 o EQ310
[ TS2265 ] Animation C1 ENERGY= 797.6 kJ/mol
Energy+ZPE= 781.8 kJ/mol ZPE= 0.0435206
CONNECTIONS:
o EQ308 o EQ310
[ TS2266 ] Animation C1 ENERGY= 788.1 kJ/mol
Energy+ZPE= 773.5 kJ/mol ZPE= 0.0439979
CONNECTIONS:
o EQ308 o EQ316
[ TS2267 ] Animation C1 ENERGY= 789.5 kJ/mol
Energy+ZPE= 774.7 kJ/mol ZPE= 0.0438925
CONNECTIONS:
o EQ308 o EQ316
[ TS2268 ] Animation C1 ENERGY= 1023.0 kJ/mol
Energy+ZPE= 994.6 kJ/mol ZPE= 0.0387329
CONNECTIONS:
o EQ308 o EQ370
[ TS2269 ] Animation C1 ENERGY= 992.6 kJ/mol
Energy+ZPE= 972.5 kJ/mol ZPE= 0.0419002
CONNECTIONS:
o EQ308 o EQ394
[ TS2270 ] Animation C1 ENERGY= 1004.3 kJ/mol
Energy+ZPE= 983.3 kJ/mol ZPE= 0.0415470
CONNECTIONS:
o EQ308 o EQ405
[ TS2271 ] Animation C1 ENERGY= 1005.0 kJ/mol
Energy+ZPE= 984.0 kJ/mol ZPE= 0.0415456
CONNECTIONS:
o EQ308 o EQ405
[ TS2272 ] Animation C1 ENERGY= 996.5 kJ/mol
Energy+ZPE= 974.3 kJ/mol ZPE= 0.0411058
CONNECTIONS:
o EQ308 o EQ409
[ TS2273 ] Animation C1 ENERGY= 997.7 kJ/mol
Energy+ZPE= 975.6 kJ/mol ZPE= 0.0411185
CONNECTIONS:
o EQ308 o EQ409
[ TS2274 ] Animation C1 ENERGY= 995.4 kJ/mol
Energy+ZPE= 973.5 kJ/mol ZPE= 0.0411943
CONNECTIONS:
o EQ308 o EQ410
[ TS2275 ] Animation C1 ENERGY= 997.2 kJ/mol
Energy+ZPE= 975.0 kJ/mol ZPE= 0.0410946
CONNECTIONS:
o EQ308 o EQ410
[ TS2276 ] Animation C1 ENERGY= 991.5 kJ/mol
Energy+ZPE= 970.9 kJ/mol ZPE= 0.0416824
CONNECTIONS:
o EQ308 o EQ420
[ TS2277 ] Animation C1 ENERGY= 1024.3 kJ/mol
Energy+ZPE= 1001.9 kJ/mol ZPE= 0.0410295
CONNECTIONS:
o EQ308 o EQ445
[ TS2278 ] Animation C1 ENERGY= 1115.5 kJ/mol
Energy+ZPE= 1097.0 kJ/mol ZPE= 0.0425134
CONNECTIONS:
o EQ308 o EQ445
[ TS2279 ] Animation C1 ENERGY= 1065.7 kJ/mol
Energy+ZPE= 1040.8 kJ/mol ZPE= 0.0400560
CONNECTIONS:
o EQ308 o EQ458
[ TS2280 ] Animation C1 ENERGY= 1139.7 kJ/mol
Energy+ZPE= 1118.0 kJ/mol ZPE= 0.0412963
CONNECTIONS:
o EQ308 o EQ458
[ TS2281 ] Animation C1 ENERGY= 1054.8 kJ/mol
Energy+ZPE= 1026.1 kJ/mol ZPE= 0.0386097
CONNECTIONS:
o EQ308 o EQ481
[ TS2282 ] Animation C1 ENERGY= 802.2 kJ/mol
Energy+ZPE= 782.5 kJ/mol ZPE= 0.0420492
CONNECTIONS:
o EQ308 o DDC726
[ TS2283 ] Animation C1 ENERGY= 809.0 kJ/mol
Energy+ZPE= 788.7 kJ/mol ZPE= 0.0418295
CONNECTIONS:
o EQ308 o DDC727
[ TS2284 ] Animation C1 ENERGY= 1023.7 kJ/mol
Energy+ZPE= 989.0 kJ/mol ZPE= 0.0363466
CONNECTIONS:
o EQ308 o DDC728
[ TS2285 ] Animation C1 ENERGY= 784.3 kJ/mol
Energy+ZPE= 762.4 kJ/mol ZPE= 0.0412215
CONNECTIONS:
o EQ309 o DDC729
[ TS2286 ] Animation C1 ENERGY= 909.7 kJ/mol
Energy+ZPE= 872.9 kJ/mol ZPE= 0.0355385
CONNECTIONS:
o EQ309 o DDC730
[ TS2287 ] Animation C1 ENERGY= 938.1 kJ/mol
Energy+ZPE= 898.3 kJ/mol ZPE= 0.0344002
CONNECTIONS:
o EQ309 o DDC731
[ TS2288 ] Animation Cs ENERGY= 1225.3 kJ/mol
Energy+ZPE= 1195.3 kJ/mol ZPE= 0.0381020
CONNECTIONS:
o EQ310 o EQ310
[ TS2289 ] Animation C1 ENERGY= 994.3 kJ/mol
Energy+ZPE= 972.7 kJ/mol ZPE= 0.0413255
CONNECTIONS:
o EQ310 o EQ406
[ TS2290 ] Animation C1 ENERGY= 997.3 kJ/mol
Energy+ZPE= 975.2 kJ/mol ZPE= 0.0411271
CONNECTIONS:
o EQ310 o EQ411
[ TS2291 ] Animation C1 ENERGY= 998.0 kJ/mol
Energy+ZPE= 975.8 kJ/mol ZPE= 0.0410922
CONNECTIONS:
o EQ310 o EQ411
[ TS2292 ] Animation C1 ENERGY= 1031.9 kJ/mol
Energy+ZPE= 1009.7 kJ/mol ZPE= 0.0410857
CONNECTIONS:
o EQ310 o EQ449
[ TS2293 ] Animation C1 ENERGY= 1112.2 kJ/mol
Energy+ZPE= 1093.8 kJ/mol ZPE= 0.0425359
CONNECTIONS:
o EQ310 o EQ449
[ TS2294 ] Animation C1 ENERGY= 1187.0 kJ/mol
Energy+ZPE= 1162.2 kJ/mol ZPE= 0.0401142
CONNECTIONS:
o EQ310 o EQ449
[ TS2295 ] Animation C1 ENERGY= 807.2 kJ/mol
Energy+ZPE= 786.6 kJ/mol ZPE= 0.0416942
CONNECTIONS:
o EQ310 o DDC732
[ TS2296 ] Animation C1 ENERGY= 812.7 kJ/mol
Energy+ZPE= 791.9 kJ/mol ZPE= 0.0416189
CONNECTIONS:
o EQ310 o DDC733
[ TS2297 ] Animation C1 ENERGY= 897.7 kJ/mol
Energy+ZPE= 866.8 kJ/mol ZPE= 0.0377779
CONNECTIONS:
o EQ311 o DDC734
[ TS2298 ] Animation C1 ENERGY= 844.0 kJ/mol
Energy+ZPE= 826.5 kJ/mol ZPE= 0.0428795
CONNECTIONS:
o EQ312 o EQ314
[ TS2299 ] Animation C1 ENERGY= 858.1 kJ/mol
Energy+ZPE= 841.6 kJ/mol ZPE= 0.0432577
CONNECTIONS:
o EQ312 o EQ321
[ TS2300 ] Animation C1 ENERGY= 1039.9 kJ/mol
Energy+ZPE= 1019.0 kJ/mol ZPE= 0.0415782
CONNECTIONS:
o EQ312 o EQ424
[ TS2301 ] Animation C1 ENERGY= 1206.3 kJ/mol
Energy+ZPE= 1179.0 kJ/mol ZPE= 0.0391342
CONNECTIONS:
o EQ312 o EQ510
[ TS2302 ] Animation Cs ENERGY= 817.9 kJ/mol
Energy+ZPE= 807.1 kJ/mol ZPE= 0.0454207
CONNECTIONS:
o EQ313 o EQ313
[ TS2303 ] Animation Cs ENERGY= 820.0 kJ/mol
Energy+ZPE= 808.6 kJ/mol ZPE= 0.0451971
CONNECTIONS:
o EQ313 o EQ313
[ TS2304 ] Animation Cs ENERGY= 934.1 kJ/mol
Energy+ZPE= 910.7 kJ/mol ZPE= 0.0406163
CONNECTIONS:
o EQ313 o EQ313
[ TS2305 ] Animation C1 ENERGY= 938.4 kJ/mol
Energy+ZPE= 920.1 kJ/mol ZPE= 0.0425694
CONNECTIONS:
o EQ313 o EQ397
[ TS2306 ] Animation C1 ENERGY= 942.1 kJ/mol
Energy+ZPE= 914.8 kJ/mol ZPE= 0.0391449
CONNECTIONS:
o EQ313 o DDC735
[ TS2307 ] Animation C1 ENERGY= 821.6 kJ/mol
Energy+ZPE= 807.8 kJ/mol ZPE= 0.0443021
CONNECTIONS:
o EQ314 o EQ321
[ TS2308 ] Animation Cs ENERGY= 952.7 kJ/mol
Energy+ZPE= 927.8 kJ/mol ZPE= 0.0400774
CONNECTIONS:
o EQ314 o EQ321
[ TS2309 ] Animation C1 ENERGY= 1048.9 kJ/mol
Energy+ZPE= 1026.1 kJ/mol ZPE= 0.0408543
CONNECTIONS:
o EQ314 o DDC736
[ TS2310 ] Animation C1 ENERGY= 792.9 kJ/mol
Energy+ZPE= 776.1 kJ/mol ZPE= 0.0431436
CONNECTIONS:
o EQ315 o DDC737
[ TS2311 ] Animation C1 ENERGY= 874.6 kJ/mol
Energy+ZPE= 843.1 kJ/mol ZPE= 0.0375363
CONNECTIONS:
o EQ315 o DDC738
[ TS2312 ] Animation Cs ENERGY= 791.3 kJ/mol
Energy+ZPE= 776.8 kJ/mol ZPE= 0.0440353
CONNECTIONS:
o EQ316 o EQ316
[ TS2313 ] Animation C1 ENERGY= 939.3 kJ/mol
Energy+ZPE= 915.8 kJ/mol ZPE= 0.0405978
CONNECTIONS:
o EQ316 o EQ330
[ TS2314 ] Animation C1 ENERGY= 997.7 kJ/mol
Energy+ZPE= 968.3 kJ/mol ZPE= 0.0383669
CONNECTIONS:
o EQ316 o EQ343
[ TS2315 ] Animation C1 ENERGY= 1001.9 kJ/mol
Energy+ZPE= 981.0 kJ/mol ZPE= 0.0416048
CONNECTIONS:
o EQ316 o EQ400
[ TS2316 ] Animation C1 ENERGY= 1159.4 kJ/mol
Energy+ZPE= 1139.9 kJ/mol ZPE= 0.0421302
CONNECTIONS:
o EQ316 o EQ451
[ TS2317 ] Animation C1 ENERGY= 1325.0 kJ/mol
Energy+ZPE= 1299.8 kJ/mol ZPE= 0.0399519
CONNECTIONS:
o EQ316 o EQ500
[ TS2318 ] Animation C2v ENERGY= 878.5 kJ/mol
Energy+ZPE= 864.3 kJ/mol ZPE= 0.0441354
CONNECTIONS:
o EQ318 o EQ318
[ TS2319 ] Animation C1 ENERGY= 915.6 kJ/mol
Energy+ZPE= 901.2 kJ/mol ZPE= 0.0440465
CONNECTIONS:
o EQ318 o EQ320
[ TS2320 ] Animation C1 ENERGY= 1007.0 kJ/mol
Energy+ZPE= 988.3 kJ/mol ZPE= 0.0424153
CONNECTIONS:
o EQ318 o EQ442
[ TS2321 ] Animation C1 ENERGY= 1040.7 kJ/mol
Energy+ZPE= 1019.6 kJ/mol ZPE= 0.0415189
CONNECTIONS:
o EQ318 o EQ448
[ TS2322 ] Animation C1 ENERGY= 853.2 kJ/mol
Energy+ZPE= 838.8 kJ/mol ZPE= 0.0440521
CONNECTIONS:
o EQ318 o DDC739
[ TS2323 ] Animation C1 ENERGY= 1120.1 kJ/mol
Energy+ZPE= 1096.2 kJ/mol ZPE= 0.0404503
CONNECTIONS:
o EQ318 o DDC740
[ TS2324 ] Animation C1 ENERGY= 996.4 kJ/mol
Energy+ZPE= 979.0 kJ/mol ZPE= 0.0429157
CONNECTIONS:
o EQ319 o EQ440
[ TS2325 ] Animation C1 ENERGY= 875.9 kJ/mol
Energy+ZPE= 856.9 kJ/mol ZPE= 0.0423123
CONNECTIONS:
o EQ319 o DDC741
[ TS2326 ] Animation C1 ENERGY= 888.3 kJ/mol
Energy+ZPE= 867.4 kJ/mol ZPE= 0.0415916
CONNECTIONS:
o EQ319 o DDC742
[ TS2327 ] Animation Cs ENERGY= 904.1 kJ/mol
Energy+ZPE= 884.3 kJ/mol ZPE= 0.0420116
CONNECTIONS:
o EQ319 o DDC743
[ TS2328 ] Animation C1 ENERGY= 1239.9 kJ/mol
Energy+ZPE= 1218.7 kJ/mol ZPE= 0.0414663
CONNECTIONS:
o EQ320 o EQ320
[ TS2329 ] Animation C1 ENERGY= 1102.9 kJ/mol
Energy+ZPE= 1080.8 kJ/mol ZPE= 0.0411116
CONNECTIONS:
o EQ320 o EQ427
[ TS2330 ] Animation C1 ENERGY= 1087.7 kJ/mol
Energy+ZPE= 1058.5 kJ/mol ZPE= 0.0384141
CONNECTIONS:
o EQ320 o EQ486
[ TS2331 ] Animation C1 ENERGY= 1151.9 kJ/mol
Energy+ZPE= 1132.9 kJ/mol ZPE= 0.0422952
CONNECTIONS:
o EQ320 o EQ508
[ TS2332 ] Animation C1 ENERGY= 841.4 kJ/mol
Energy+ZPE= 817.1 kJ/mol ZPE= 0.0402984
CONNECTIONS:
o EQ321 o DDC744
[ TS2333 ] Animation Cs ENERGY= 826.6 kJ/mol
Energy+ZPE= 812.0 kJ/mol ZPE= 0.0439889
CONNECTIONS:
o EQ322 o EQ322
[ TS2334 ] Animation Cs ENERGY= 830.3 kJ/mol
Energy+ZPE= 815.2 kJ/mol ZPE= 0.0437863
CONNECTIONS:
o EQ322 o EQ322
[ TS2335 ] Animation C1 ENERGY= 974.5 kJ/mol
Energy+ZPE= 954.4 kJ/mol ZPE= 0.0418894
CONNECTIONS:
o EQ322 o EQ328
[ TS2336 ] Animation C1 ENERGY= 822.9 kJ/mol
Energy+ZPE= 804.4 kJ/mol ZPE= 0.0425122
CONNECTIONS:
o EQ322 o DDC745
[ TS2337 ] Animation C1 ENERGY= 836.6 kJ/mol
Energy+ZPE= 817.1 kJ/mol ZPE= 0.0421233
CONNECTIONS:
o EQ322 o DDC746
[ TS2338 ] Animation C1 ENERGY= 851.6 kJ/mol
Energy+ZPE= 831.9 kJ/mol ZPE= 0.0420626
CONNECTIONS:
o EQ322 o DDC747
[ TS2339 ] Animation C1 ENERGY= 865.0 kJ/mol
Energy+ZPE= 847.1 kJ/mol ZPE= 0.0427396
CONNECTIONS:
o EQ322 o DDC748
[ TS2340 ] Animation C1 ENERGY= 868.4 kJ/mol
Energy+ZPE= 850.2 kJ/mol ZPE= 0.0426262
CONNECTIONS:
o EQ322 o DDC749
[ TS2341 ] Animation C1 ENERGY= 849.4 kJ/mol
Energy+ZPE= 833.7 kJ/mol ZPE= 0.0435765
CONNECTIONS:
o EQ323 o EQ336
[ TS2342 ] Animation C1 ENERGY= 814.8 kJ/mol
Energy+ZPE= 801.4 kJ/mol ZPE= 0.0444288
CONNECTIONS:
o EQ323 o DDC750
[ TS2343 ] Animation C1 ENERGY= 816.6 kJ/mol
Energy+ZPE= 803.6 kJ/mol ZPE= 0.0445900
CONNECTIONS:
o EQ323 o DDC751
[ TS2344 ] Animation C1 ENERGY= 816.7 kJ/mol
Energy+ZPE= 803.5 kJ/mol ZPE= 0.0445360
CONNECTIONS:
o EQ323 o DDC752
[ TS2345 ] Animation C1 ENERGY= 820.5 kJ/mol
Energy+ZPE= 805.0 kJ/mol ZPE= 0.0436334
CONNECTIONS:
o EQ323 o DDC753
[ TS2346 ] Animation Cs ENERGY= 842.7 kJ/mol
Energy+ZPE= 829.0 kJ/mol ZPE= 0.0443172
CONNECTIONS:
o EQ324 o EQ324
[ TS2347 ] Animation C1 ENERGY= 828.2 kJ/mol
Energy+ZPE= 817.4 kJ/mol ZPE= 0.0454202
CONNECTIONS:
o EQ324 o EQ338
[ TS2348 ] Animation C1 ENERGY= 855.5 kJ/mol
Energy+ZPE= 844.0 kJ/mol ZPE= 0.0451807
CONNECTIONS:
o EQ324 o EQ344
[ TS2349 ] Animation C1 ENERGY= 872.3 kJ/mol
Energy+ZPE= 856.7 kJ/mol ZPE= 0.0435896
CONNECTIONS:
o EQ324 o DDC754
[ TS2350 ] Animation C1 ENERGY= 901.5 kJ/mol
Energy+ZPE= 883.3 kJ/mol ZPE= 0.0426213
CONNECTIONS:
o EQ324 o DDC755
[ TS2351 ] Animation C1 ENERGY= 926.8 kJ/mol
Energy+ZPE= 900.7 kJ/mol ZPE= 0.0395875
CONNECTIONS:
o EQ324 o DDC756
[ TS2352 ] Animation C1 ENERGY= 986.2 kJ/mol
Energy+ZPE= 957.7 kJ/mol ZPE= 0.0387111
CONNECTIONS:
o EQ324 o DDC757
[ TS2353 ] Animation C1 ENERGY= 936.6 kJ/mol
Energy+ZPE= 912.4 kJ/mol ZPE= 0.0403398
CONNECTIONS:
o EQ325 o EQ339
[ TS2354 ] Animation C1 ENERGY= 1030.8 kJ/mol
Energy+ZPE= 1007.1 kJ/mol ZPE= 0.0405256
CONNECTIONS:
o EQ325 o EQ398
[ TS2355 ] Animation C1 ENERGY= 852.9 kJ/mol
Energy+ZPE= 833.7 kJ/mol ZPE= 0.0422325
CONNECTIONS:
o EQ325 o DDC758
[ TS2356 ] Animation Cs ENERGY= 886.4 kJ/mol
Energy+ZPE= 857.9 kJ/mol ZPE= 0.0387088
CONNECTIONS:
o EQ325 o DDC759
[ TS2357 ] Animation C1 ENERGY= 818.5 kJ/mol
Energy+ZPE= 801.4 kJ/mol ZPE= 0.0430524
CONNECTIONS:
o EQ326 o DDC760
[ TS2358 ] Animation C1 ENERGY= 1042.7 kJ/mol
Energy+ZPE= 1021.0 kJ/mol ZPE= 0.0412791
CONNECTIONS:
o EQ326 o DDC761
[ TS2359 ] Animation C1 ENERGY= 1054.3 kJ/mol
Energy+ZPE= 1031.9 kJ/mol ZPE= 0.0410202
CONNECTIONS:
o EQ326 o DDC762
[ TS2360 ] Animation C1 ENERGY= 818.4 kJ/mol
Energy+ZPE= 801.3 kJ/mol ZPE= 0.0430298
CONNECTIONS:
o EQ327 o DDC763
[ TS2361 ] Animation C1 ENERGY= 823.1 kJ/mol
Energy+ZPE= 805.8 kJ/mol ZPE= 0.0429765
CONNECTIONS:
o EQ327 o DDC764
[ TS2362 ] Animation C1 ENERGY= 1042.7 kJ/mol
Energy+ZPE= 1021.1 kJ/mol ZPE= 0.0413274
CONNECTIONS:
o EQ327 o DDC765
[ TS2363 ] Animation C1 ENERGY= 1167.7 kJ/mol
Energy+ZPE= 1139.1 kJ/mol ZPE= 0.0386399
CONNECTIONS:
o EQ327 o DDC766
[ TS2364 ] Animation C1 ENERGY= 817.0 kJ/mol
Energy+ZPE= 800.7 kJ/mol ZPE= 0.0433383
CONNECTIONS:
o EQ328 o EQ328
[ TS2365 ] Animation C1 ENERGY= 882.9 kJ/mol
Energy+ZPE= 862.3 kJ/mol ZPE= 0.0416937
CONNECTIONS:
o EQ328 o EQ341
[ TS2366 ] Animation C1 ENERGY= 1002.2 kJ/mol
Energy+ZPE= 979.7 kJ/mol ZPE= 0.0409815
CONNECTIONS:
o EQ328 o DDC767
[ TS2367 ] Animation C1 ENERGY= 1059.6 kJ/mol
Energy+ZPE= 1034.7 kJ/mol ZPE= 0.0400751
CONNECTIONS:
o EQ328 o DDC768
[ TS2368 ] Animation Cs ENERGY= 965.7 kJ/mol
Energy+ZPE= 948.7 kJ/mol ZPE= 0.0430900
CONNECTIONS:
o EQ329 o EQ330
[ TS2369 ] Animation C1 ENERGY= 848.1 kJ/mol
Energy+ZPE= 835.7 kJ/mol ZPE= 0.0448208
CONNECTIONS:
o EQ329 o EQ346
[ TS2370 ] Animation C1 ENERGY= 960.8 kJ/mol
Energy+ZPE= 945.0 kJ/mol ZPE= 0.0435421
CONNECTIONS:
o EQ329 o EQ358
[ TS2371 ] Animation C1 ENERGY= 966.2 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0434405
CONNECTIONS:
o EQ329 o EQ360
[ TS2372 ] Animation C1 ENERGY= 1195.1 kJ/mol
Energy+ZPE= 1164.0 kJ/mol ZPE= 0.0376937
CONNECTIONS:
o EQ329 o EQ449
[ TS2373 ] Animation C1 ENERGY= 1239.0 kJ/mol
Energy+ZPE= 1215.2 kJ/mol ZPE= 0.0404844
CONNECTIONS:
o EQ329 o EQ519
[ TS2374 ] Animation C1 ENERGY= 1205.9 kJ/mol
Energy+ZPE= 1181.5 kJ/mol ZPE= 0.0402489
CONNECTIONS:
o EQ329 o DDC769
[ TS2375 ] Animation C1 ENERGY= 860.0 kJ/mol
Energy+ZPE= 848.3 kJ/mol ZPE= 0.0450754
CONNECTIONS:
o EQ330 o EQ351
[ TS2376 ] Animation C1 ENERGY= 962.8 kJ/mol
Energy+ZPE= 947.0 kJ/mol ZPE= 0.0435460
CONNECTIONS:
o EQ330 o EQ356
[ TS2377 ] Animation C1 ENERGY= 970.9 kJ/mol
Energy+ZPE= 955.0 kJ/mol ZPE= 0.0435060
CONNECTIONS:
o EQ330 o EQ358
[ TS2378 ] Animation C1 ENERGY= 982.0 kJ/mol
Energy+ZPE= 966.4 kJ/mol ZPE= 0.0435900
CONNECTIONS:
o EQ330 o EQ374
[ TS2379 ] Animation C1 ENERGY= 990.0 kJ/mol
Energy+ZPE= 973.5 kJ/mol ZPE= 0.0432689
CONNECTIONS:
o EQ330 o EQ426
[ TS2380 ] Animation C1 ENERGY= 1046.5 kJ/mol
Energy+ZPE= 1027.2 kJ/mol ZPE= 0.0421982
CONNECTIONS:
o EQ330 o DDC770
[ TS2381 ] Animation Cs ENERGY= 822.9 kJ/mol
Energy+ZPE= 806.3 kJ/mol ZPE= 0.0432135
CONNECTIONS:
o EQ331 o EQ331
[ TS2382 ] Animation C1 ENERGY= 892.3 kJ/mol
Energy+ZPE= 871.1 kJ/mol ZPE= 0.0414868
CONNECTIONS:
o EQ331 o EQ334
[ TS2383 ] Animation Cs ENERGY= 1013.4 kJ/mol
Energy+ZPE= 990.8 kJ/mol ZPE= 0.0409557
CONNECTIONS:
o EQ331 o EQ371
[ TS2384 ] Animation C1 ENERGY= 1013.6 kJ/mol
Energy+ZPE= 990.9 kJ/mol ZPE= 0.0409124
CONNECTIONS:
o EQ331 o EQ371
[ TS2385 ] Animation C1 ENERGY= 938.0 kJ/mol
Energy+ZPE= 913.4 kJ/mol ZPE= 0.0401649
CONNECTIONS:
o EQ331 o DDC771
[ TS2386 ] Animation C1 ENERGY= 1280.1 kJ/mol
Energy+ZPE= 1250.1 kJ/mol ZPE= 0.0381224
CONNECTIONS:
o EQ331 o DDC772
[ TS2387 ] Animation C1 ENERGY= 839.7 kJ/mol
Energy+ZPE= 823.1 kJ/mol ZPE= 0.0432123
CONNECTIONS:
o EQ333 o EQ340
[ TS2388 ] Animation C1 ENERGY= 831.3 kJ/mol
Energy+ZPE= 810.3 kJ/mol ZPE= 0.0415480
CONNECTIONS:
o EQ333 o DDC773
[ TS2389 ] Animation C1 ENERGY= 831.7 kJ/mol
Energy+ZPE= 813.3 kJ/mol ZPE= 0.0425499
CONNECTIONS:
o EQ333 o DDC774
[ TS2390 ] Animation C1 ENERGY= 844.2 kJ/mol
Energy+ZPE= 821.5 kJ/mol ZPE= 0.0409063
CONNECTIONS:
o EQ333 o DDC775
[ TS2391 ] Animation C1 ENERGY= 854.0 kJ/mol
Energy+ZPE= 833.8 kJ/mol ZPE= 0.0418608
CONNECTIONS:
o EQ333 o DDC776
[ TS2392 ] Animation C1 ENERGY= 878.5 kJ/mol
Energy+ZPE= 857.4 kJ/mol ZPE= 0.0415183
CONNECTIONS:
o EQ333 o DDC777
[ TS2393 ] Animation C1 ENERGY= 849.4 kJ/mol
Energy+ZPE= 831.2 kJ/mol ZPE= 0.0426011
CONNECTIONS:
o EQ334 o EQ342
[ TS2394 ] Animation C1 ENERGY= 894.4 kJ/mol
Energy+ZPE= 870.7 kJ/mol ZPE= 0.0405291
CONNECTIONS:
o EQ334 o DDC778
[ TS2395 ] Animation Cs ENERGY= 999.0 kJ/mol
Energy+ZPE= 962.9 kJ/mol ZPE= 0.0357788
CONNECTIONS:
o EQ334 o DDC779
[ TS2396 ] Animation C1 ENERGY= 982.4 kJ/mol
Energy+ZPE= 967.2 kJ/mol ZPE= 0.0437702
CONNECTIONS:
o EQ335 o EQ351
[ TS2397 ] Animation C1 ENERGY= 1019.7 kJ/mol
Energy+ZPE= 1003.9 kJ/mol ZPE= 0.0435362
CONNECTIONS:
o EQ335 o EQ374
[ TS2398 ] Animation C2 ENERGY= 1109.9 kJ/mol
Energy+ZPE= 1091.4 kJ/mol ZPE= 0.0424917
CONNECTIONS:
o EQ335 o EQ377
[ TS2399 ] Animation C1 ENERGY= 827.3 kJ/mol
Energy+ZPE= 814.6 kJ/mol ZPE= 0.0446947
CONNECTIONS:
o EQ335 o DDC780
[ TS2400 ] Animation C1 ENERGY= 1081.3 kJ/mol
Energy+ZPE= 1064.3 kJ/mol ZPE= 0.0430840
CONNECTIONS:
o EQ335 o DDC781
[ TS2401 ] Animation C1 ENERGY= 1225.6 kJ/mol
Energy+ZPE= 1198.7 kJ/mol ZPE= 0.0392865
CONNECTIONS:
o EQ335 o DDC782
[ TS2402 ] Animation C1 ENERGY= 825.5 kJ/mol
Energy+ZPE= 812.1 kJ/mol ZPE= 0.0444295
CONNECTIONS:
o EQ336 o DDC783
[ TS2403 ] Animation C1 ENERGY= 827.3 kJ/mol
Energy+ZPE= 813.6 kJ/mol ZPE= 0.0443453
CONNECTIONS:
o EQ336 o DDC784
[ TS2404 ] Animation C1 ENERGY= 831.0 kJ/mol
Energy+ZPE= 816.7 kJ/mol ZPE= 0.0441140
CONNECTIONS:
o EQ336 o DDC785
[ TS2405 ] Animation C1 ENERGY= 833.2 kJ/mol
Energy+ZPE= 817.1 kJ/mol ZPE= 0.0434274
CONNECTIONS:
o EQ336 o DDC786
[ TS2406 ] Animation C1 ENERGY= 831.6 kJ/mol
Energy+ZPE= 810.1 kJ/mol ZPE= 0.0413764
CONNECTIONS:
o EQ337 o DDC787
[ TS2407 ] Animation Cs ENERGY= 855.1 kJ/mol
Energy+ZPE= 834.3 kJ/mol ZPE= 0.0416119
CONNECTIONS:
o EQ337 o DDC788
[ TS2408 ] Animation C1 ENERGY= 858.9 kJ/mol
Energy+ZPE= 848.1 kJ/mol ZPE= 0.0454372
CONNECTIONS:
o EQ338 o EQ344
[ TS2409 ] Animation C1 ENERGY= 885.4 kJ/mol
Energy+ZPE= 869.3 kJ/mol ZPE= 0.0434119
CONNECTIONS:
o EQ338 o DDC789
[ TS2410 ] Animation C1 ENERGY= 960.9 kJ/mol
Energy+ZPE= 932.3 kJ/mol ZPE= 0.0386597
CONNECTIONS:
o EQ338 o DDC790
[ TS2411 ] Animation Cs ENERGY= 827.2 kJ/mol
Energy+ZPE= 811.7 kJ/mol ZPE= 0.0436273
CONNECTIONS:
o EQ339 o EQ339
[ TS2412 ] Animation C1 ENERGY= 1030.4 kJ/mol
Energy+ZPE= 1008.8 kJ/mol ZPE= 0.0413354
CONNECTIONS:
o EQ339 o EQ418
[ TS2413 ] Animation C1 ENERGY= 1314.3 kJ/mol
Energy+ZPE= 1296.1 kJ/mol ZPE= 0.0426269
CONNECTIONS:
o EQ339 o EQ516
[ TS2414 ] Animation C1 ENERGY= 1306.8 kJ/mol
Energy+ZPE= 1288.7 kJ/mol ZPE= 0.0426540
CONNECTIONS:
o EQ339 o EQ559
[ TS2415 ] Animation C1 ENERGY= 1313.8 kJ/mol
Energy+ZPE= 1295.5 kJ/mol ZPE= 0.0425693
CONNECTIONS:
o EQ339 o EQ563
[ TS2416 ] Animation C1 ENERGY= 838.6 kJ/mol
Energy+ZPE= 822.1 kJ/mol ZPE= 0.0432631
CONNECTIONS:
o EQ339 o DDC791
[ TS2417 ] Animation C1 ENERGY= 841.5 kJ/mol
Energy+ZPE= 824.0 kJ/mol ZPE= 0.0428718
CONNECTIONS:
o EQ339 o DDC792
[ TS2418 ] Animation Cs ENERGY= 858.4 kJ/mol
Energy+ZPE= 844.8 kJ/mol ZPE= 0.0443592
CONNECTIONS:
o EQ340 o EQ340
[ TS2419 ] Animation C1 ENERGY= 1065.4 kJ/mol
Energy+ZPE= 1044.1 kJ/mol ZPE= 0.0414397
CONNECTIONS:
o EQ340 o EQ427
[ TS2420 ] Animation C1 ENERGY= 1027.6 kJ/mol
Energy+ZPE= 1009.2 kJ/mol ZPE= 0.0425262
CONNECTIONS:
o EQ340 o EQ440
[ TS2421 ] Animation C1 ENERGY= 1103.1 kJ/mol
Energy+ZPE= 1076.8 kJ/mol ZPE= 0.0395345
CONNECTIONS:
o EQ340 o EQ440
[ TS2422 ] Animation C1 ENERGY= 1045.7 kJ/mol
Energy+ZPE= 1027.1 kJ/mol ZPE= 0.0424693
CONNECTIONS:
o EQ340 o EQ442
[ TS2423 ] Animation C2 ENERGY= 1059.4 kJ/mol
Energy+ZPE= 1039.9 kJ/mol ZPE= 0.0421224
CONNECTIONS:
o EQ340 o EQ442
[ TS2424 ] Animation Cs ENERGY= 1028.1 kJ/mol
Energy+ZPE= 1010.7 kJ/mol ZPE= 0.0429215
CONNECTIONS:
o EQ340 o EQ448
[ TS2425 ] Animation C1 ENERGY= 996.7 kJ/mol
Energy+ZPE= 975.4 kJ/mol ZPE= 0.0414346
CONNECTIONS:
o EQ341 o EQ348
[ TS2426 ] Animation C1 ENERGY= 858.2 kJ/mol
Energy+ZPE= 837.7 kJ/mol ZPE= 0.0417291
CONNECTIONS:
o EQ341 o EQ350
[ TS2427 ] Animation C1 ENERGY= 1071.1 kJ/mol
Energy+ZPE= 1045.1 kJ/mol ZPE= 0.0396598
CONNECTIONS:
o EQ341 o EQ487
[ TS2428 ] Animation C1 ENERGY= 1350.7 kJ/mol
Energy+ZPE= 1318.2 kJ/mol ZPE= 0.0371805
CONNECTIONS:
o EQ341 o EQ561
[ TS2429 ] Animation C1 ENERGY= 1346.9 kJ/mol
Energy+ZPE= 1314.9 kJ/mol ZPE= 0.0373704
CONNECTIONS:
o EQ341 o EQ569
[ TS2430 ] Animation C1 ENERGY= 934.6 kJ/mol
Energy+ZPE= 905.8 kJ/mol ZPE= 0.0385650
CONNECTIONS:
o EQ341 o DDC793
[ TS2431 ] Animation C1 ENERGY= 1071.2 kJ/mol
Energy+ZPE= 1045.0 kJ/mol ZPE= 0.0395753
CONNECTIONS:
o EQ341 o DDC794
[ TS2432 ] Animation C1 ENERGY= 946.2 kJ/mol
Energy+ZPE= 921.9 kJ/mol ZPE= 0.0402994
CONNECTIONS:
o EQ342 o EQ350
[ TS2433 ] Animation C1 ENERGY= 906.0 kJ/mol
Energy+ZPE= 883.6 kJ/mol ZPE= 0.0410030
CONNECTIONS:
o EQ342 o DDC795
[ TS2434 ] Animation Cs ENERGY= 917.2 kJ/mol
Energy+ZPE= 878.1 kJ/mol ZPE= 0.0346690
CONNECTIONS:
o EQ342 o DDC796
[ TS2435 ] Animation C1 ENERGY= 1280.6 kJ/mol
Energy+ZPE= 1249.9 kJ/mol ZPE= 0.0378436
CONNECTIONS:
o EQ342 o DDC797
[ TS2436 ] Animation Cs ENERGY= 836.4 kJ/mol
Energy+ZPE= 817.6 kJ/mol ZPE= 0.0423790
CONNECTIONS:
o EQ343 o EQ343
[ TS2437 ] Animation Cs ENERGY= 865.8 kJ/mol
Energy+ZPE= 848.6 kJ/mol ZPE= 0.0430093
CONNECTIONS:
o EQ343 o EQ343
[ TS2438 ] Animation C1 ENERGY= 872.8 kJ/mol
Energy+ZPE= 855.5 kJ/mol ZPE= 0.0429750
CONNECTIONS:
o EQ343 o EQ343
[ TS2439 ] Animation C1 ENERGY= 914.4 kJ/mol
Energy+ZPE= 892.0 kJ/mol ZPE= 0.0410135
CONNECTIONS:
o EQ343 o EQ375
[ TS2440 ] Animation C1 ENERGY= 995.6 kJ/mol
Energy+ZPE= 969.4 kJ/mol ZPE= 0.0395774
CONNECTIONS:
o EQ343 o EQ386
[ TS2441 ] Animation C1 ENERGY= 998.5 kJ/mol
Energy+ZPE= 972.6 kJ/mol ZPE= 0.0397006
CONNECTIONS:
o EQ343 o EQ392
[ TS2442 ] Animation C1 ENERGY= 1001.9 kJ/mol
Energy+ZPE= 973.4 kJ/mol ZPE= 0.0386920
CONNECTIONS:
o EQ343 o EQ420
[ TS2443 ] Animation C1 ENERGY= 1043.6 kJ/mol
Energy+ZPE= 1025.3 kJ/mol ZPE= 0.0425623
CONNECTIONS:
o EQ343 o EQ458
[ TS2444 ] Animation C1 ENERGY= 1046.7 kJ/mol
Energy+ZPE= 1027.6 kJ/mol ZPE= 0.0422563
CONNECTIONS:
o EQ343 o EQ464
[ TS2445 ] Animation C1 ENERGY= 1048.7 kJ/mol
Energy+ZPE= 1030.0 kJ/mol ZPE= 0.0424316
CONNECTIONS:
o EQ343 o EQ466
[ TS2446 ] Animation C1 ENERGY= 1059.7 kJ/mol
Energy+ZPE= 1039.0 kJ/mol ZPE= 0.0416644
CONNECTIONS:
o EQ343 o EQ468
[ TS2447 ] Animation C1 ENERGY= 1051.7 kJ/mol
Energy+ZPE= 1034.1 kJ/mol ZPE= 0.0428272
CONNECTIONS:
o EQ343 o EQ474
[ TS2448 ] Animation C1 ENERGY= 1066.2 kJ/mol
Energy+ZPE= 1046.8 kJ/mol ZPE= 0.0421521
CONNECTIONS:
o EQ343 o EQ485
[ TS2449 ] Animation C1 ENERGY= 1207.4 kJ/mol
Energy+ZPE= 1178.8 kJ/mol ZPE= 0.0386544
CONNECTIONS:
o EQ343 o EQ512
[ TS2450 ] Animation C1 ENERGY= 1323.6 kJ/mol
Energy+ZPE= 1296.0 kJ/mol ZPE= 0.0390483
CONNECTIONS:
o EQ343 o EQ520
[ TS2451 ] Animation C1 ENERGY= 1197.3 kJ/mol
Energy+ZPE= 1179.2 kJ/mol ZPE= 0.0426492
CONNECTIONS:
o EQ343 o EQ532
[ TS2452 ] Animation C1 ENERGY= 849.7 kJ/mol
Energy+ZPE= 829.2 kJ/mol ZPE= 0.0417245
CONNECTIONS:
o EQ343 o DDC798
[ TS2453 ] Animation C1 ENERGY= 850.0 kJ/mol
Energy+ZPE= 824.7 kJ/mol ZPE= 0.0398996
CONNECTIONS:
o EQ343 o DDC799
[ TS2454 ] Animation C1 ENERGY= 1068.0 kJ/mol
Energy+ZPE= 1043.2 kJ/mol ZPE= 0.0400858
CONNECTIONS:
o EQ343 o DDC800
[ TS2455 ] Animation Cs ENERGY= 861.1 kJ/mol
Energy+ZPE= 847.8 kJ/mol ZPE= 0.0444823
CONNECTIONS:
o EQ344 o EQ344
[ TS2456 ] Animation C1 ENERGY= 839.9 kJ/mol
Energy+ZPE= 828.0 kJ/mol ZPE= 0.0450269
CONNECTIONS:
o EQ344 o DDC801
[ TS2457 ] Animation C1 ENERGY= 927.9 kJ/mol
Energy+ZPE= 908.0 kJ/mol ZPE= 0.0419711
CONNECTIONS:
o EQ344 o DDC802
[ TS2458 ] Animation C1 ENERGY= 937.8 kJ/mol
Energy+ZPE= 911.9 kJ/mol ZPE= 0.0396824
CONNECTIONS:
o EQ345 o EQ396
[ TS2459 ] Animation C1 ENERGY= 839.9 kJ/mol
Energy+ZPE= 821.6 kJ/mol ZPE= 0.0425661
CONNECTIONS:
o EQ345 o DDC803
[ TS2460 ] Animation C1 ENERGY= 841.9 kJ/mol
Energy+ZPE= 826.1 kJ/mol ZPE= 0.0435137
CONNECTIONS:
o EQ345 o DDC804
[ TS2461 ] Animation C1 ENERGY= 842.3 kJ/mol
Energy+ZPE= 824.9 kJ/mol ZPE= 0.0429351
CONNECTIONS:
o EQ345 o DDC805
[ TS2462 ] Animation C1 ENERGY= 951.0 kJ/mol
Energy+ZPE= 926.1 kJ/mol ZPE= 0.0400501
CONNECTIONS:
o EQ345 o DDC806
[ TS2463 ] Animation Cs ENERGY= 983.3 kJ/mol
Energy+ZPE= 966.3 kJ/mol ZPE= 0.0430817
CONNECTIONS:
o EQ346 o EQ351
[ TS2464 ] Animation C1 ENERGY= 991.6 kJ/mol
Energy+ZPE= 966.6 kJ/mol ZPE= 0.0400157
CONNECTIONS:
o EQ346 o EQ370
[ TS2465 ] Animation C1 ENERGY= 998.9 kJ/mol
Energy+ZPE= 982.1 kJ/mol ZPE= 0.0431520
CONNECTIONS:
o EQ346 o EQ374
[ TS2466 ] Animation C1 ENERGY= 972.7 kJ/mol
Energy+ZPE= 956.9 kJ/mol ZPE= 0.0435327
CONNECTIONS:
o EQ346 o EQ377
[ TS2467 ] Animation C1 ENERGY= 881.9 kJ/mol
Energy+ZPE= 856.5 kJ/mol ZPE= 0.0398830
CONNECTIONS:
o EQ347 o DDC807
[ TS2468 ] Animation C1 ENERGY= 900.5 kJ/mol
Energy+ZPE= 866.4 kJ/mol ZPE= 0.0365618
CONNECTIONS:
o EQ347 o DDC808
[ TS2469 ] Animation Cs ENERGY= 859.2 kJ/mol
Energy+ZPE= 842.3 kJ/mol ZPE= 0.0431024
CONNECTIONS:
o EQ348 o EQ348
[ TS2470 ] Animation C1 ENERGY= 847.5 kJ/mol
Energy+ZPE= 831.6 kJ/mol ZPE= 0.0435081
CONNECTIONS:
o EQ348 o EQ349
[ TS2471 ] Animation C1 ENERGY= 846.1 kJ/mol
Energy+ZPE= 827.4 kJ/mol ZPE= 0.0424289
CONNECTIONS:
o EQ348 o DDC809
[ TS2472 ] Animation C1 ENERGY= 885.0 kJ/mol
Energy+ZPE= 865.5 kJ/mol ZPE= 0.0421109
CONNECTIONS:
o EQ348 o DDC810
[ TS2473 ] Animation C1 ENERGY= 896.4 kJ/mol
Energy+ZPE= 876.1 kJ/mol ZPE= 0.0418205
CONNECTIONS:
o EQ348 o DDC811
[ TS2474 ] Animation C1 ENERGY= 904.0 kJ/mol
Energy+ZPE= 884.2 kJ/mol ZPE= 0.0420148
CONNECTIONS:
o EQ348 o DDC812
[ TS2475 ] Animation C1 ENERGY= 955.6 kJ/mol
Energy+ZPE= 929.3 kJ/mol ZPE= 0.0395248
CONNECTIONS:
o EQ348 o DDC813
[ TS2476 ] Animation C1 ENERGY= 1033.6 kJ/mol
Energy+ZPE= 1001.3 kJ/mol ZPE= 0.0372444
CONNECTIONS:
o EQ348 o DDC814
[ TS2477 ] Animation Cs ENERGY= 948.6 kJ/mol
Energy+ZPE= 918.8 kJ/mol ZPE= 0.0381927
CONNECTIONS:
o EQ349 o DDC815
[ TS2478 ] Animation C1 ENERGY= 1012.9 kJ/mol
Energy+ZPE= 988.2 kJ/mol ZPE= 0.0401564
CONNECTIONS:
o EQ350 o EQ353
[ TS2479 ] Animation C1 ENERGY= 1346.4 kJ/mol
Energy+ZPE= 1314.4 kJ/mol ZPE= 0.0373456
CONNECTIONS:
o EQ350 o EQ569
[ TS2480 ] Animation Cs ENERGY= 919.3 kJ/mol
Energy+ZPE= 880.4 kJ/mol ZPE= 0.0347169
CONNECTIONS:
o EQ350 o DDC816
[ TS2481 ] Animation C1 ENERGY= 1062.8 kJ/mol
Energy+ZPE= 1036.2 kJ/mol ZPE= 0.0394305
CONNECTIONS:
o EQ350 o DDC817
[ TS2482 ] Animation C1 ENERGY= 1273.0 kJ/mol
Energy+ZPE= 1242.5 kJ/mol ZPE= 0.0379141
CONNECTIONS:
o EQ351 o EQ523
[ TS2483 ] Animation C1 ENERGY= 873.1 kJ/mol
Energy+ZPE= 849.1 kJ/mol ZPE= 0.0404166
CONNECTIONS:
o EQ352 o EQ352
[ TS2484 ] Animation C2 ENERGY= 906.9 kJ/mol
Energy+ZPE= 887.3 kJ/mol ZPE= 0.0420734
CONNECTIONS:
o EQ352 o EQ352
[ TS2485 ] Animation Cs ENERGY= 907.2 kJ/mol
Energy+ZPE= 887.6 kJ/mol ZPE= 0.0420662
CONNECTIONS:
o EQ352 o EQ352
[ TS2486 ] Animation C2h ENERGY= 942.4 kJ/mol
Energy+ZPE= 913.9 kJ/mol ZPE= 0.0386924
CONNECTIONS:
o EQ352 o EQ352
[ TS2487 ] Animation C1 ENERGY= 1043.1 kJ/mol
Energy+ZPE= 1013.8 kJ/mol ZPE= 0.0384006
CONNECTIONS:
o EQ352 o EQ373
[ TS2488 ] Animation C1 ENERGY= 1037.3 kJ/mol
Energy+ZPE= 1004.1 kJ/mol ZPE= 0.0368846
CONNECTIONS:
o EQ352 o EQ386
[ TS2489 ] Animation C1 ENERGY= 1034.1 kJ/mol
Energy+ZPE= 1005.1 kJ/mol ZPE= 0.0384882
CONNECTIONS:
o EQ352 o EQ405
[ TS2490 ] Animation C1 ENERGY= 1069.9 kJ/mol
Energy+ZPE= 1043.8 kJ/mol ZPE= 0.0395903
CONNECTIONS:
o EQ352 o EQ460
[ TS2491 ] Animation C1 ENERGY= 1081.5 kJ/mol
Energy+ZPE= 1053.7 kJ/mol ZPE= 0.0389407
CONNECTIONS:
o EQ352 o EQ460
[ TS2492 ] Animation C1 ENERGY= 1071.6 kJ/mol
Energy+ZPE= 1045.4 kJ/mol ZPE= 0.0395521
CONNECTIONS:
o EQ352 o EQ462
[ TS2493 ] Animation C1 ENERGY= 1154.2 kJ/mol
Energy+ZPE= 1127.5 kJ/mol ZPE= 0.0393770
CONNECTIONS:
o EQ352 o EQ510
[ TS2494 ] Animation C1 ENERGY= 1162.2 kJ/mol
Energy+ZPE= 1139.2 kJ/mol ZPE= 0.0407801
CONNECTIONS:
o EQ352 o EQ510
[ TS2495 ] Animation C1 ENERGY= 1169.1 kJ/mol
Energy+ZPE= 1145.9 kJ/mol ZPE= 0.0407267
CONNECTIONS:
o EQ352 o EQ510
[ TS2496 ] Animation C1 ENERGY= 1169.7 kJ/mol
Energy+ZPE= 1147.2 kJ/mol ZPE= 0.0409770
CONNECTIONS:
o EQ352 o EQ510
[ TS2497 ] Animation C1 ENERGY= 1154.5 kJ/mol
Energy+ZPE= 1127.9 kJ/mol ZPE= 0.0394020
CONNECTIONS:
o EQ352 o EQ511
[ TS2498 ] Animation C1 ENERGY= 1156.4 kJ/mol
Energy+ZPE= 1129.4 kJ/mol ZPE= 0.0392666
CONNECTIONS:
o EQ352 o EQ511
[ TS2499 ] Animation C1 ENERGY= 1167.6 kJ/mol
Energy+ZPE= 1143.5 kJ/mol ZPE= 0.0403551
CONNECTIONS:
o EQ352 o EQ511
[ TS2500 ] Animation C1 ENERGY= 894.0 kJ/mol
Energy+ZPE= 870.6 kJ/mol ZPE= 0.0406299
CONNECTIONS:
o EQ352 o DDC818
[ TS2501 ] Animation C1 ENERGY= 900.0 kJ/mol
Energy+ZPE= 872.2 kJ/mol ZPE= 0.0389738
CONNECTIONS:
o EQ352 o DDC819
[ TS2502 ] Animation C1 ENERGY= 1260.7 kJ/mol
Energy+ZPE= 1235.6 kJ/mol ZPE= 0.0399821
CONNECTIONS:
o EQ352 o DDC820
[ TS2503 ] Animation C1 ENERGY= 865.1 kJ/mol
Energy+ZPE= 846.6 kJ/mol ZPE= 0.0424945
CONNECTIONS:
o EQ353 o DDC821
[ TS2504 ] Animation Cs ENERGY= 888.7 kJ/mol
Energy+ZPE= 850.9 kJ/mol ZPE= 0.0351554
CONNECTIONS:
o EQ353 o DDC822
[ TS2505 ] Animation C1 ENERGY= 879.4 kJ/mol
Energy+ZPE= 860.9 kJ/mol ZPE= 0.0424964
CONNECTIONS:
o EQ354 o EQ359
[ TS2506 ] Animation C1 ENERGY= 905.8 kJ/mol
Energy+ZPE= 886.9 kJ/mol ZPE= 0.0423607
CONNECTIONS:
o EQ354 o EQ362
[ TS2507 ] Animation C1 ENERGY= 899.0 kJ/mol
Energy+ZPE= 883.0 kJ/mol ZPE= 0.0434534
CONNECTIONS:
o EQ354 o EQ364
[ TS2508 ] Animation C1 ENERGY= 907.9 kJ/mol
Energy+ZPE= 891.6 kJ/mol ZPE= 0.0433494
CONNECTIONS:
o EQ354 o EQ364
[ TS2509 ] Animation C1 ENERGY= 899.6 kJ/mol
Energy+ZPE= 881.3 kJ/mol ZPE= 0.0425630
CONNECTIONS:
o EQ354 o EQ368
[ TS2510 ] Animation C1 ENERGY= 1124.9 kJ/mol
Energy+ZPE= 1094.4 kJ/mol ZPE= 0.0379442
CONNECTIONS:
o EQ354 o EQ383
[ TS2511 ] Animation C1 ENERGY= 1198.3 kJ/mol
Energy+ZPE= 1173.7 kJ/mol ZPE= 0.0401788
CONNECTIONS:
o EQ354 o EQ498
[ TS2512 ] Animation C1 ENERGY= 1195.3 kJ/mol
Energy+ZPE= 1159.6 kJ/mol ZPE= 0.0359363
CONNECTIONS:
o EQ354 o EQ515
[ TS2513 ] Animation C1 ENERGY= 875.4 kJ/mol
Energy+ZPE= 854.4 kJ/mol ZPE= 0.0415364
CONNECTIONS:
o EQ354 o DDC823
[ TS2514 ] Animation C1 ENERGY= 876.0 kJ/mol
Energy+ZPE= 854.7 kJ/mol ZPE= 0.0414182
CONNECTIONS:
o EQ354 o DDC824
[ TS2515 ] Animation C1 ENERGY= 1068.5 kJ/mol
Energy+ZPE= 1045.1 kJ/mol ZPE= 0.0406423
CONNECTIONS:
o EQ354 o DDC825
[ TS2516 ] Animation C1 ENERGY= 901.2 kJ/mol
Energy+ZPE= 883.0 kJ/mol ZPE= 0.0426002
CONNECTIONS:
o EQ355 o EQ359
[ TS2517 ] Animation C1 ENERGY= 905.7 kJ/mol
Energy+ZPE= 887.0 kJ/mol ZPE= 0.0424110
CONNECTIONS:
o EQ355 o EQ359
[ TS2518 ] Animation C1 ENERGY= 879.6 kJ/mol
Energy+ZPE= 860.7 kJ/mol ZPE= 0.0423310
CONNECTIONS:
o EQ355 o EQ362
[ TS2519 ] Animation C1 ENERGY= 899.0 kJ/mol
Energy+ZPE= 883.0 kJ/mol ZPE= 0.0434637
CONNECTIONS:
o EQ355 o EQ363
[ TS2520 ] Animation C1 ENERGY= 906.2 kJ/mol
Energy+ZPE= 889.8 kJ/mol ZPE= 0.0433187
CONNECTIONS:
o EQ355 o EQ363
[ TS2521 ] Animation C1 ENERGY= 1126.9 kJ/mol
Energy+ZPE= 1096.2 kJ/mol ZPE= 0.0378489
CONNECTIONS:
o EQ355 o EQ382
[ TS2522 ] Animation C1 ENERGY= 1156.6 kJ/mol
Energy+ZPE= 1131.6 kJ/mol ZPE= 0.0400135
CONNECTIONS:
o EQ355 o EQ498
[ TS2523 ] Animation C1 ENERGY= 874.5 kJ/mol
Energy+ZPE= 853.9 kJ/mol ZPE= 0.0417067
CONNECTIONS:
o EQ355 o DDC826
[ TS2524 ] Animation C1 ENERGY= 1068.4 kJ/mol
Energy+ZPE= 1045.0 kJ/mol ZPE= 0.0406221
CONNECTIONS:
o EQ355 o DDC827
[ TS2525 ] Animation Cs ENERGY= 1037.2 kJ/mol
Energy+ZPE= 1019.4 kJ/mol ZPE= 0.0427815
CONNECTIONS:
o EQ356 o EQ358
[ TS2526 ] Animation Ci ENERGY= 1107.4 kJ/mol
Energy+ZPE= 1088.6 kJ/mol ZPE= 0.0423993
CONNECTIONS:
o EQ356 o EQ360
[ TS2527 ] Animation C1 ENERGY= 998.0 kJ/mol
Energy+ZPE= 972.9 kJ/mol ZPE= 0.0399866
CONNECTIONS:
o EQ356 o EQ405
[ TS2528 ] Animation C1 ENERGY= 911.3 kJ/mol
Energy+ZPE= 894.6 kJ/mol ZPE= 0.0431729
CONNECTIONS:
o EQ357 o EQ359
[ TS2529 ] Animation C1 ENERGY= 914.2 kJ/mol
Energy+ZPE= 897.1 kJ/mol ZPE= 0.0430373
CONNECTIONS:
o EQ357 o EQ359
[ TS2530 ] Animation C1 ENERGY= 904.4 kJ/mol
Energy+ZPE= 886.4 kJ/mol ZPE= 0.0427015
CONNECTIONS:
o EQ357 o EQ363
[ TS2531 ] Animation C1 ENERGY= 914.2 kJ/mol
Energy+ZPE= 895.9 kJ/mol ZPE= 0.0425776
CONNECTIONS:
o EQ357 o EQ363
[ TS2532 ] Animation C1 ENERGY= 891.4 kJ/mol
Energy+ZPE= 872.9 kJ/mol ZPE= 0.0424996
CONNECTIONS:
o EQ357 o EQ364
[ TS2533 ] Animation C1 ENERGY= 875.6 kJ/mol
Energy+ZPE= 856.5 kJ/mol ZPE= 0.0422629
CONNECTIONS:
o EQ357 o DDC828
[ TS2534 ] Animation C2 ENERGY= 1102.2 kJ/mol
Energy+ZPE= 1083.9 kJ/mol ZPE= 0.0425766
CONNECTIONS:
o EQ358 o EQ358
[ TS2535 ] Animation Cs ENERGY= 1037.2 kJ/mol
Energy+ZPE= 1018.9 kJ/mol ZPE= 0.0425834
CONNECTIONS:
o EQ358 o EQ360
[ TS2536 ] Animation C1 ENERGY= 955.0 kJ/mol
Energy+ZPE= 939.8 kJ/mol ZPE= 0.0437582
CONNECTIONS:
o EQ358 o EQ374
[ TS2537 ] Animation C1 ENERGY= 1002.3 kJ/mol
Energy+ZPE= 976.7 kJ/mol ZPE= 0.0397791
CONNECTIONS:
o EQ358 o EQ400
[ TS2538 ] Animation C1 ENERGY= 1023.5 kJ/mol
Energy+ZPE= 1004.3 kJ/mol ZPE= 0.0422363
CONNECTIONS:
o EQ358 o EQ426
[ TS2539 ] Animation C1 ENERGY= 997.7 kJ/mol
Energy+ZPE= 981.7 kJ/mol ZPE= 0.0434456
CONNECTIONS:
o EQ358 o EQ441
[ TS2540 ] Animation C1 ENERGY= 1264.3 kJ/mol
Energy+ZPE= 1233.8 kJ/mol ZPE= 0.0379167
CONNECTIONS:
o EQ358 o EQ532
[ TS2541 ] Animation C1 ENERGY= 1292.6 kJ/mol
Energy+ZPE= 1261.6 kJ/mol ZPE= 0.0377371
CONNECTIONS:
o EQ358 o EQ535
[ TS2542 ] Animation C1 ENERGY= 1406.9 kJ/mol
Energy+ZPE= 1380.0 kJ/mol ZPE= 0.0392827
CONNECTIONS:
o EQ358 o EQ573
[ TS2543 ] Animation Ci ENERGY= 1277.2 kJ/mol
Energy+ZPE= 1243.2 kJ/mol ZPE= 0.0365955
CONNECTIONS:
o EQ358 o DDC829
[ TS2544 ] Animation C1 ENERGY= 1292.4 kJ/mol
Energy+ZPE= 1260.7 kJ/mol ZPE= 0.0374836
CONNECTIONS:
o EQ358 o DDC830
[ TS2545 ] Animation C1 ENERGY= 1309.3 kJ/mol
Energy+ZPE= 1276.6 kJ/mol ZPE= 0.0371064
CONNECTIONS:
o EQ358 o DDC831
[ TS2546 ] Animation C1 ENERGY= 1118.6 kJ/mol
Energy+ZPE= 1088.6 kJ/mol ZPE= 0.0381318
CONNECTIONS:
o EQ359 o EQ376
[ TS2547 ] Animation C1 ENERGY= 879.8 kJ/mol
Energy+ZPE= 858.5 kJ/mol ZPE= 0.0414213
CONNECTIONS:
o EQ359 o DDC832
[ TS2548 ] Animation C2 ENERGY= 955.0 kJ/mol
Energy+ZPE= 939.6 kJ/mol ZPE= 0.0436681
CONNECTIONS:
o EQ360 o EQ377
[ TS2549 ] Animation Cs ENERGY= 1043.9 kJ/mol
Energy+ZPE= 1017.9 kJ/mol ZPE= 0.0396485
CONNECTIONS:
o EQ360 o EQ407
[ TS2550 ] Animation C1 ENERGY= 1262.6 kJ/mol
Energy+ZPE= 1231.7 kJ/mol ZPE= 0.0377714
CONNECTIONS:
o EQ360 o EQ530
[ TS2551 ] Animation C1 ENERGY= 1356.5 kJ/mol
Energy+ZPE= 1323.4 kJ/mol ZPE= 0.0369255
CONNECTIONS:
o EQ360 o EQ548
[ TS2552 ] Animation C1 ENERGY= 1289.4 kJ/mol
Energy+ZPE= 1258.6 kJ/mol ZPE= 0.0378285
CONNECTIONS:
o EQ360 o DDC833
[ TS2553 ] Animation C1 ENERGY= 985.5 kJ/mol
Energy+ZPE= 968.0 kJ/mol ZPE= 0.0428953
CONNECTIONS:
o EQ361 o EQ405
[ TS2554 ] Animation C1 ENERGY= 1340.3 kJ/mol
Energy+ZPE= 1318.2 kJ/mol ZPE= 0.0411151
CONNECTIONS:
o EQ361 o EQ419
[ TS2555 ] Animation C1 ENERGY= 880.1 kJ/mol
Energy+ZPE= 864.2 kJ/mol ZPE= 0.0435008
CONNECTIONS:
o EQ361 o DDC834
[ TS2556 ] Animation C1 ENERGY= 909.8 kJ/mol
Energy+ZPE= 893.2 kJ/mol ZPE= 0.0432315
CONNECTIONS:
o EQ362 o EQ365
[ TS2557 ] Animation C1 ENERGY= 883.3 kJ/mol
Energy+ZPE= 865.4 kJ/mol ZPE= 0.0427405
CONNECTIONS:
o EQ362 o EQ368
[ TS2558 ] Animation C1 ENERGY= 879.3 kJ/mol
Energy+ZPE= 858.1 kJ/mol ZPE= 0.0414871
CONNECTIONS:
o EQ362 o DDC835
[ TS2559 ] Animation C1 ENERGY= 883.4 kJ/mol
Energy+ZPE= 864.9 kJ/mol ZPE= 0.0424843
CONNECTIONS:
o EQ362 o DDC836
[ TS2560 ] Animation C1 ENERGY= 889.1 kJ/mol
Energy+ZPE= 870.4 kJ/mol ZPE= 0.0424331
CONNECTIONS:
o EQ363 o EQ369
[ TS2561 ] Animation C1 ENERGY= 1211.3 kJ/mol
Energy+ZPE= 1187.6 kJ/mol ZPE= 0.0405223
CONNECTIONS:
o EQ363 o EQ503
[ TS2562 ] Animation C1 ENERGY= 1195.0 kJ/mol
Energy+ZPE= 1167.5 kJ/mol ZPE= 0.0390820
CONNECTIONS:
o EQ363 o EQ528
[ TS2563 ] Animation C1 ENERGY= 885.7 kJ/mol
Energy+ZPE= 864.7 kJ/mol ZPE= 0.0415435
CONNECTIONS:
o EQ363 o DDC837
[ TS2564 ] Animation C1 ENERGY= 1067.9 kJ/mol
Energy+ZPE= 1044.7 kJ/mol ZPE= 0.0407013
CONNECTIONS:
o EQ363 o DDC838
[ TS2565 ] Animation C1 ENERGY= 1169.1 kJ/mol
Energy+ZPE= 1134.5 kJ/mol ZPE= 0.0363571
CONNECTIONS:
o EQ363 o DDC839
[ TS2566 ] Animation C1 ENERGY= 908.0 kJ/mol
Energy+ZPE= 889.6 kJ/mol ZPE= 0.0425267
CONNECTIONS:
o EQ364 o EQ365
[ TS2567 ] Animation C1 ENERGY= 1159.7 kJ/mol
Energy+ZPE= 1134.2 kJ/mol ZPE= 0.0398236
CONNECTIONS:
o EQ364 o EQ503
[ TS2568 ] Animation C1 ENERGY= 1212.3 kJ/mol
Energy+ZPE= 1188.9 kJ/mol ZPE= 0.0406453
CONNECTIONS:
o EQ364 o EQ504
[ TS2569 ] Animation C1 ENERGY= 1199.5 kJ/mol
Energy+ZPE= 1163.5 kJ/mol ZPE= 0.0358354
CONNECTIONS:
o EQ364 o EQ514
[ TS2570 ] Animation C1 ENERGY= 887.0 kJ/mol
Energy+ZPE= 865.3 kJ/mol ZPE= 0.0412988
CONNECTIONS:
o EQ364 o DDC840
[ TS2571 ] Animation C1 ENERGY= 1070.3 kJ/mol
Energy+ZPE= 1046.8 kJ/mol ZPE= 0.0406109
CONNECTIONS:
o EQ364 o DDC841
[ TS2572 ] Animation C1 ENERGY= 1128.0 kJ/mol
Energy+ZPE= 1097.8 kJ/mol ZPE= 0.0380278
CONNECTIONS:
o EQ364 o DDC842
[ TS2573 ] Animation C1 ENERGY= 885.1 kJ/mol
Energy+ZPE= 867.3 kJ/mol ZPE= 0.0427679
CONNECTIONS:
o EQ365 o EQ369
[ TS2574 ] Animation C1 ENERGY= 1204.9 kJ/mol
Energy+ZPE= 1169.3 kJ/mol ZPE= 0.0359753
CONNECTIONS:
o EQ365 o EQ521
[ TS2575 ] Animation C1 ENERGY= 889.9 kJ/mol
Energy+ZPE= 868.5 kJ/mol ZPE= 0.0413926
CONNECTIONS:
o EQ365 o DDC843
[ TS2576 ] Animation C1 ENERGY= 1067.1 kJ/mol
Energy+ZPE= 1044.4 kJ/mol ZPE= 0.0409057
CONNECTIONS:
o EQ365 o DDC844
[ TS2577 ] Animation C1 ENERGY= 1205.0 kJ/mol
Energy+ZPE= 1168.9 kJ/mol ZPE= 0.0358073
CONNECTIONS:
o EQ365 o DDC845
[ TS2578 ] Animation Cs ENERGY= 886.0 kJ/mol
Energy+ZPE= 866.1 kJ/mol ZPE= 0.0419492
CONNECTIONS:
o EQ366 o EQ366
[ TS2579 ] Animation C1 ENERGY= 921.3 kJ/mol
Energy+ZPE= 899.9 kJ/mol ZPE= 0.0413844
CONNECTIONS:
o EQ366 o EQ387
[ TS2580 ] Animation C1 ENERGY= 925.3 kJ/mol
Energy+ZPE= 900.3 kJ/mol ZPE= 0.0400103
CONNECTIONS:
o EQ366 o DDC846
[ TS2581 ] Animation C1 ENERGY= 953.8 kJ/mol
Energy+ZPE= 926.7 kJ/mol ZPE= 0.0392370
CONNECTIONS:
o EQ366 o DDC847
[ TS2582 ] Animation C1 ENERGY= 883.6 kJ/mol
Energy+ZPE= 862.0 kJ/mol ZPE= 0.0413175
CONNECTIONS:
o EQ367 o DDC848
[ TS2583 ] Animation C1 ENERGY= 1133.6 kJ/mol
Energy+ZPE= 1110.0 kJ/mol ZPE= 0.0405439
CONNECTIONS:
o EQ369 o EQ483
[ TS2584 ] Animation C1 ENERGY= 887.5 kJ/mol
Energy+ZPE= 865.8 kJ/mol ZPE= 0.0412974
CONNECTIONS:
o EQ369 o DDC849
[ TS2585 ] Animation C1 ENERGY= 910.5 kJ/mol
Energy+ZPE= 894.2 kJ/mol ZPE= 0.0433237
CONNECTIONS:
o EQ369 o DDC850
[ TS2586 ] Animation C1 ENERGY= 888.4 kJ/mol
Energy+ZPE= 871.4 kJ/mol ZPE= 0.0430591
CONNECTIONS:
o EQ370 o EQ372
[ TS2587 ] Animation C1 ENERGY= 895.2 kJ/mol
Energy+ZPE= 875.3 kJ/mol ZPE= 0.0419866
CONNECTIONS:
o EQ370 o EQ375
[ TS2588 ] Animation C1 ENERGY= 897.6 kJ/mol
Energy+ZPE= 877.7 kJ/mol ZPE= 0.0419578
CONNECTIONS:
o EQ370 o EQ375
[ TS2589 ] Animation C1 ENERGY= 1035.4 kJ/mol
Energy+ZPE= 1012.7 kJ/mol ZPE= 0.0408838
CONNECTIONS:
o EQ370 o EQ407
[ TS2590 ] Animation C1 ENERGY= 1050.4 kJ/mol
Energy+ZPE= 1029.4 kJ/mol ZPE= 0.0415560
CONNECTIONS:
o EQ370 o EQ421
[ TS2591 ] Animation C1 ENERGY= 1065.3 kJ/mol
Energy+ZPE= 1047.9 kJ/mol ZPE= 0.0429206
CONNECTIONS:
o EQ370 o EQ458
[ TS2592 ] Animation C1 ENERGY= 1058.0 kJ/mol
Energy+ZPE= 1039.9 kJ/mol ZPE= 0.0426345
CONNECTIONS:
o EQ370 o EQ466
[ TS2593 ] Animation Cs ENERGY= 890.0 kJ/mol
Energy+ZPE= 870.0 kJ/mol ZPE= 0.0419151
CONNECTIONS:
o EQ371 o EQ371
[ TS2594 ] Animation C1 ENERGY= 893.5 kJ/mol
Energy+ZPE= 874.9 kJ/mol ZPE= 0.0424795
CONNECTIONS:
o EQ371 o DDC851
[ TS2595 ] Animation C1 ENERGY= 894.1 kJ/mol
Energy+ZPE= 875.3 kJ/mol ZPE= 0.0423855
CONNECTIONS:
o EQ371 o DDC852
[ TS2596 ] Animation C1 ENERGY= 969.1 kJ/mol
Energy+ZPE= 940.1 kJ/mol ZPE= 0.0384932
CONNECTIONS:
o EQ371 o DDC853
[ TS2597 ] Animation C1 ENERGY= 1052.6 kJ/mol
Energy+ZPE= 1033.8 kJ/mol ZPE= 0.0423841
CONNECTIONS:
o EQ372 o EQ464
[ TS2598 ] Animation C1 ENERGY= 889.9 kJ/mol
Energy+ZPE= 874.6 kJ/mol ZPE= 0.0437029
CONNECTIONS:
o EQ373 o EQ378
[ TS2599 ] Animation C1 ENERGY= 987.2 kJ/mol
Energy+ZPE= 968.8 kJ/mol ZPE= 0.0425538
CONNECTIONS:
o EQ373 o EQ409
[ TS2600 ] Animation C1 ENERGY= 891.1 kJ/mol
Energy+ZPE= 876.0 kJ/mol ZPE= 0.0437919
CONNECTIONS:
o EQ373 o DDC854
[ TS2601 ] Animation C1 ENERGY= 891.6 kJ/mol
Energy+ZPE= 874.9 kJ/mol ZPE= 0.0431722
CONNECTIONS:
o EQ373 o DDC855
[ TS2602 ] Animation C1 ENERGY= 1119.7 kJ/mol
Energy+ZPE= 1086.1 kJ/mol ZPE= 0.0367562
CONNECTIONS:
o EQ373 o DDC856
[ TS2603 ] Animation C2 ENERGY= 1043.4 kJ/mol
Energy+ZPE= 1027.8 kJ/mol ZPE= 0.0435998
CONNECTIONS:
o EQ374 o EQ374
[ TS2604 ] Animation Cs ENERGY= 1056.8 kJ/mol
Energy+ZPE= 1031.4 kJ/mol ZPE= 0.0398796
CONNECTIONS:
o EQ374 o EQ421
[ TS2605 ] Animation C1 ENERGY= 1103.1 kJ/mol
Energy+ZPE= 1084.8 kJ/mol ZPE= 0.0425877
CONNECTIONS:
o EQ374 o EQ444
[ TS2606 ] Animation C1 ENERGY= 1225.4 kJ/mol
Energy+ZPE= 1199.2 kJ/mol ZPE= 0.0395760
CONNECTIONS:
o EQ374 o EQ508
[ TS2607 ] Animation C1 ENERGY= 1304.3 kJ/mol
Energy+ZPE= 1273.6 kJ/mol ZPE= 0.0378665
CONNECTIONS:
o EQ374 o EQ542
[ TS2608 ] Animation C1 ENERGY= 1355.1 kJ/mol
Energy+ZPE= 1319.7 kJ/mol ZPE= 0.0360621
CONNECTIONS:
o EQ374 o EQ542
[ TS2609 ] Animation C1 ENERGY= 1420.7 kJ/mol
Energy+ZPE= 1393.7 kJ/mol ZPE= 0.0392666
CONNECTIONS:
o EQ374 o EQ573
[ TS2610 ] Animation C1 ENERGY= 1033.2 kJ/mol
Energy+ZPE= 1016.7 kJ/mol ZPE= 0.0432762
CONNECTIONS:
o EQ374 o DDC857
[ TS2611 ] Animation C1 ENERGY= 1252.7 kJ/mol
Energy+ZPE= 1225.3 kJ/mol ZPE= 0.0391200
CONNECTIONS:
o EQ374 o DDC858
[ TS2612 ] Animation C1 ENERGY= 1278.6 kJ/mol
Energy+ZPE= 1247.7 kJ/mol ZPE= 0.0377674
CONNECTIONS:
o EQ374 o DDC859
[ TS2613 ] Animation C1 ENERGY= 1044.6 kJ/mol
Energy+ZPE= 1022.9 kJ/mol ZPE= 0.0412798
CONNECTIONS:
o EQ375 o EQ417
[ TS2614 ] Animation C1 ENERGY= 1065.3 kJ/mol
Energy+ZPE= 1046.2 kJ/mol ZPE= 0.0422609
CONNECTIONS:
o EQ375 o EQ458
[ TS2615 ] Animation C1 ENERGY= 1075.8 kJ/mol
Energy+ZPE= 1056.1 kJ/mol ZPE= 0.0420547
CONNECTIONS:
o EQ375 o EQ485
[ TS2616 ] Animation C1 ENERGY= 1230.8 kJ/mol
Energy+ZPE= 1201.0 kJ/mol ZPE= 0.0382101
CONNECTIONS:
o EQ375 o EQ520
[ TS2617 ] Animation Cs ENERGY= 1241.7 kJ/mol
Energy+ZPE= 1209.8 kJ/mol ZPE= 0.0374140
CONNECTIONS:
o EQ375 o EQ533
[ TS2618 ] Animation C1 ENERGY= 937.0 kJ/mol
Energy+ZPE= 915.7 kJ/mol ZPE= 0.0414491
CONNECTIONS:
o EQ376 o EQ379
[ TS2619 ] Animation C1 ENERGY= 945.6 kJ/mol
Energy+ZPE= 923.1 kJ/mol ZPE= 0.0409751
CONNECTIONS:
o EQ376 o EQ379
[ TS2620 ] Animation C1 ENERGY= 950.3 kJ/mol
Energy+ZPE= 928.6 kJ/mol ZPE= 0.0412700
CONNECTIONS:
o EQ376 o EQ379
[ TS2621 ] Animation C1 ENERGY= 925.7 kJ/mol
Energy+ZPE= 903.4 kJ/mol ZPE= 0.0410653
CONNECTIONS:
o EQ376 o EQ382
[ TS2622 ] Animation C1 ENERGY= 934.3 kJ/mol
Energy+ZPE= 911.5 kJ/mol ZPE= 0.0408620
CONNECTIONS:
o EQ376 o EQ382
[ TS2623 ] Animation C1 ENERGY= 907.2 kJ/mol
Energy+ZPE= 886.3 kJ/mol ZPE= 0.0415889
CONNECTIONS:
o EQ376 o EQ383
[ TS2624 ] Animation C1 ENERGY= 930.3 kJ/mol
Energy+ZPE= 907.9 kJ/mol ZPE= 0.0410142
CONNECTIONS:
o EQ376 o EQ383
[ TS2625 ] Animation C1 ENERGY= 1170.5 kJ/mol
Energy+ZPE= 1142.0 kJ/mol ZPE= 0.0386898
CONNECTIONS:
o EQ376 o EQ482
[ TS2626 ] Animation C1 ENERGY= 1186.2 kJ/mol
Energy+ZPE= 1156.6 kJ/mol ZPE= 0.0382853
CONNECTIONS:
o EQ376 o EQ505
[ TS2627 ] Animation C1 ENERGY= 919.5 kJ/mol
Energy+ZPE= 897.1 kJ/mol ZPE= 0.0410036
CONNECTIONS:
o EQ376 o DDC860
[ TS2628 ] Animation C1 ENERGY= 950.8 kJ/mol
Energy+ZPE= 918.3 kJ/mol ZPE= 0.0371733
CONNECTIONS:
o EQ376 o DDC861
[ TS2629 ] Animation Cs ENERGY= 1054.8 kJ/mol
Energy+ZPE= 1028.8 kJ/mol ZPE= 0.0396302
CONNECTIONS:
o EQ377 o EQ415
[ TS2630 ] Animation C1 ENERGY= 1363.0 kJ/mol
Energy+ZPE= 1337.3 kJ/mol ZPE= 0.0397738
CONNECTIONS:
o EQ377 o EQ562
[ TS2631 ] Animation C1 ENERGY= 1370.1 kJ/mol
Energy+ZPE= 1344.1 kJ/mol ZPE= 0.0396548
CONNECTIONS:
o EQ377 o EQ562
[ TS2632 ] Animation C1 ENERGY= 1255.7 kJ/mol
Energy+ZPE= 1226.4 kJ/mol ZPE= 0.0384055
CONNECTIONS:
o EQ377 o DDC862
[ TS2633 ] Animation C1 ENERGY= 892.8 kJ/mol
Energy+ZPE= 876.1 kJ/mol ZPE= 0.0431923
CONNECTIONS:
o EQ378 o DDC863
[ TS2634 ] Animation C1 ENERGY= 908.4 kJ/mol
Energy+ZPE= 887.4 kJ/mol ZPE= 0.0415425
CONNECTIONS:
o EQ379 o EQ382
[ TS2635 ] Animation C1 ENERGY= 925.3 kJ/mol
Energy+ZPE= 903.1 kJ/mol ZPE= 0.0410898
CONNECTIONS:
o EQ379 o EQ383
[ TS2636 ] Animation C1 ENERGY= 937.0 kJ/mol
Energy+ZPE= 914.0 kJ/mol ZPE= 0.0407994
CONNECTIONS:
o EQ379 o EQ383
[ TS2637 ] Animation C1 ENERGY= 1160.3 kJ/mol
Energy+ZPE= 1133.6 kJ/mol ZPE= 0.0393918
CONNECTIONS:
o EQ379 o EQ473
[ TS2638 ] Animation C1 ENERGY= 913.8 kJ/mol
Energy+ZPE= 891.6 kJ/mol ZPE= 0.0411100
CONNECTIONS:
o EQ379 o DDC864
[ TS2639 ] Animation C1 ENERGY= 951.7 kJ/mol
Energy+ZPE= 917.6 kJ/mol ZPE= 0.0365471
CONNECTIONS:
o EQ379 o DDC865
[ TS2640 ] Animation C1 ENERGY= 1122.7 kJ/mol
Energy+ZPE= 1092.3 kJ/mol ZPE= 0.0379659
CONNECTIONS:
o EQ379 o DDC866
[ TS2641 ] Animation C1 ENERGY= 893.0 kJ/mol
Energy+ZPE= 869.8 kJ/mol ZPE= 0.0407145
CONNECTIONS:
o EQ380 o DDC867
[ TS2642 ] Animation C1 ENERGY= 899.8 kJ/mol
Energy+ZPE= 878.3 kJ/mol ZPE= 0.0413512
CONNECTIONS:
o EQ380 o DDC868
[ TS2643 ] Animation C1 ENERGY= 897.3 kJ/mol
Energy+ZPE= 875.7 kJ/mol ZPE= 0.0413365
CONNECTIONS:
o EQ381 o DDC869
[ TS2644 ] Animation C1 ENERGY= 899.2 kJ/mol
Energy+ZPE= 874.8 kJ/mol ZPE= 0.0402557
CONNECTIONS:
o EQ381 o DDC870
[ TS2645 ] Animation C1 ENERGY= 947.9 kJ/mol
Energy+ZPE= 925.4 kJ/mol ZPE= 0.0409765
CONNECTIONS:
o EQ382 o EQ383
[ TS2646 ] Animation C1 ENERGY= 963.6 kJ/mol
Energy+ZPE= 940.5 kJ/mol ZPE= 0.0407387
CONNECTIONS:
o EQ382 o EQ383
[ TS2647 ] Animation C1 ENERGY= 924.7 kJ/mol
Energy+ZPE= 901.5 kJ/mol ZPE= 0.0406962
CONNECTIONS:
o EQ382 o DDC871
[ TS2648 ] Animation C1 ENERGY= 925.1 kJ/mol
Energy+ZPE= 902.0 kJ/mol ZPE= 0.0407473
CONNECTIONS:
o EQ383 o DDC872
[ TS2649 ] Animation C1 ENERGY= 907.5 kJ/mol
Energy+ZPE= 885.7 kJ/mol ZPE= 0.0412625
CONNECTIONS:
o EQ384 o DDC873
[ TS2650 ] Animation C1 ENERGY= 912.2 kJ/mol
Energy+ZPE= 891.5 kJ/mol ZPE= 0.0416767
CONNECTIONS:
o EQ384 o DDC874
[ TS2651 ] Animation Cs ENERGY= 962.1 kJ/mol
Energy+ZPE= 944.9 kJ/mol ZPE= 0.0429827
CONNECTIONS:
o EQ385 o EQ385
[ TS2652 ] Animation C1 ENERGY= 1252.9 kJ/mol
Energy+ZPE= 1230.8 kJ/mol ZPE= 0.0411323
CONNECTIONS:
o EQ385 o EQ392
[ TS2653 ] Animation C1 ENERGY= 927.8 kJ/mol
Energy+ZPE= 907.1 kJ/mol ZPE= 0.0416456
CONNECTIONS:
o EQ385 o EQ394
[ TS2654 ] Animation C1 ENERGY= 954.5 kJ/mol
Energy+ZPE= 938.9 kJ/mol ZPE= 0.0436012
CONNECTIONS:
o EQ385 o DDC875
[ TS2655 ] Animation C1 ENERGY= 1056.8 kJ/mol
Energy+ZPE= 1033.2 kJ/mol ZPE= 0.0405447
CONNECTIONS:
o EQ385 o DDC876
[ TS2656 ] Animation C1 ENERGY= 1137.1 kJ/mol
Energy+ZPE= 1104.7 kJ/mol ZPE= 0.0371911
CONNECTIONS:
o EQ385 o DDC877
[ TS2657 ] Animation C1 ENERGY= 1197.9 kJ/mol
Energy+ZPE= 1169.3 kJ/mol ZPE= 0.0386600
CONNECTIONS:
o EQ385 o DDC878
[ TS2658 ] Animation C1 ENERGY= 1277.9 kJ/mol
Energy+ZPE= 1245.2 kJ/mol ZPE= 0.0370978
CONNECTIONS:
o EQ386 o EQ386
[ TS2659 ] Animation C1 ENERGY= 932.7 kJ/mol
Energy+ZPE= 909.6 kJ/mol ZPE= 0.0407508
CONNECTIONS:
o EQ386 o EQ392
[ TS2660 ] Animation C1 ENERGY= 1195.1 kJ/mol
Energy+ZPE= 1172.6 kJ/mol ZPE= 0.0409633
CONNECTIONS:
o EQ386 o EQ458
[ TS2661 ] Animation C1 ENERGY= 1193.5 kJ/mol
Energy+ZPE= 1171.1 kJ/mol ZPE= 0.0410270
CONNECTIONS:
o EQ386 o EQ468
[ TS2662 ] Animation C1 ENERGY= 1146.0 kJ/mol
Energy+ZPE= 1126.7 kJ/mol ZPE= 0.0421778
CONNECTIONS:
o EQ386 o EQ509
[ TS2663 ] Animation C1 ENERGY= 1493.2 kJ/mol
Energy+ZPE= 1459.9 kJ/mol ZPE= 0.0368575
CONNECTIONS:
o EQ386 o EQ530
[ TS2664 ] Animation C1 ENERGY= 1230.2 kJ/mol
Energy+ZPE= 1212.3 kJ/mol ZPE= 0.0427222
CONNECTIONS:
o EQ386 o EQ535
[ TS2665 ] Animation C1 ENERGY= 1258.0 kJ/mol
Energy+ZPE= 1229.9 kJ/mol ZPE= 0.0388416
CONNECTIONS:
o EQ386 o EQ535
[ TS2666 ] Animation C1 ENERGY= 1288.1 kJ/mol
Energy+ZPE= 1266.5 kJ/mol ZPE= 0.0413311
CONNECTIONS:
o EQ386 o EQ548
[ TS2667 ] Animation C1 ENERGY= 1297.8 kJ/mol
Energy+ZPE= 1276.0 kJ/mol ZPE= 0.0412452
CONNECTIONS:
o EQ386 o EQ548
[ TS2668 ] Animation C1 ENERGY= 950.7 kJ/mol
Energy+ZPE= 921.4 kJ/mol ZPE= 0.0383827
CONNECTIONS:
o EQ386 o DDC879
[ TS2669 ] Animation C1 ENERGY= 1323.9 kJ/mol
Energy+ZPE= 1280.3 kJ/mol ZPE= 0.0329404
CONNECTIONS:
o EQ386 o DDC880
[ TS2670 ] Animation Cs ENERGY= 942.4 kJ/mol
Energy+ZPE= 930.2 kJ/mol ZPE= 0.0449035
CONNECTIONS:
o EQ388 o EQ388
[ TS2671 ] Animation C1 ENERGY= 1045.1 kJ/mol
Energy+ZPE= 1023.3 kJ/mol ZPE= 0.0412572
CONNECTIONS:
o EQ388 o EQ389
[ TS2672 ] Animation C1 ENERGY= 953.5 kJ/mol
Energy+ZPE= 938.6 kJ/mol ZPE= 0.0438766
CONNECTIONS:
o EQ388 o EQ408
[ TS2673 ] Animation C1 ENERGY= 995.2 kJ/mol
Energy+ZPE= 976.7 kJ/mol ZPE= 0.0425071
CONNECTIONS:
o EQ388 o DDC881
[ TS2674 ] Animation C1 ENERGY= 1025.6 kJ/mol
Energy+ZPE= 1006.7 kJ/mol ZPE= 0.0423594
CONNECTIONS:
o EQ388 o DDC882
[ TS2675 ] Animation C1 ENERGY= 1049.6 kJ/mol
Energy+ZPE= 1022.1 kJ/mol ZPE= 0.0390638
CONNECTIONS:
o EQ388 o DDC883
[ TS2676 ] Animation Cs ENERGY= 935.3 kJ/mol
Energy+ZPE= 924.8 kJ/mol ZPE= 0.0455551
CONNECTIONS:
o EQ389 o EQ389
[ TS2677 ] Animation Cs ENERGY= 949.9 kJ/mol
Energy+ZPE= 938.9 kJ/mol ZPE= 0.0453423
CONNECTIONS:
o EQ389 o EQ389
[ TS2678 ] Animation C1 ENERGY= 1055.6 kJ/mol
Energy+ZPE= 1034.4 kJ/mol ZPE= 0.0414651
CONNECTIONS:
o EQ389 o EQ408
[ TS2679 ] Animation C1 ENERGY= 1022.3 kJ/mol
Energy+ZPE= 1003.9 kJ/mol ZPE= 0.0425501
CONNECTIONS:
o EQ389 o DDC884
[ TS2680 ] Animation C1 ENERGY= 1036.9 kJ/mol
Energy+ZPE= 1016.2 kJ/mol ZPE= 0.0416716
CONNECTIONS:
o EQ389 o DDC885
[ TS2681 ] Animation C1 ENERGY= 1053.2 kJ/mol
Energy+ZPE= 1033.6 kJ/mol ZPE= 0.0420731
CONNECTIONS:
o EQ389 o DDC886
[ TS2682 ] Animation C1 ENERGY= 954.1 kJ/mol
Energy+ZPE= 934.7 kJ/mol ZPE= 0.0421465
CONNECTIONS:
o EQ390 o EQ391
[ TS2683 ] Animation C1 ENERGY= 921.7 kJ/mol
Energy+ZPE= 906.6 kJ/mol ZPE= 0.0437965
CONNECTIONS:
o EQ390 o DDC887
[ TS2684 ] Animation C1 ENERGY= 928.2 kJ/mol
Energy+ZPE= 911.7 kJ/mol ZPE= 0.0432688
CONNECTIONS:
o EQ390 o DDC888
[ TS2685 ] Animation C1 ENERGY= 933.1 kJ/mol
Energy+ZPE= 916.3 kJ/mol ZPE= 0.0431636
CONNECTIONS:
o EQ390 o DDC889
[ TS2686 ] Animation C1 ENERGY= 963.8 kJ/mol
Energy+ZPE= 943.2 kJ/mol ZPE= 0.0416887
CONNECTIONS:
o EQ390 o DDC890
[ TS2687 ] Animation C1 ENERGY= 923.6 kJ/mol
Energy+ZPE= 907.1 kJ/mol ZPE= 0.0432738
CONNECTIONS:
o EQ391 o DDC891
[ TS2688 ] Animation C1 ENERGY= 927.8 kJ/mol
Energy+ZPE= 912.0 kJ/mol ZPE= 0.0435400
CONNECTIONS:
o EQ391 o DDC892
[ TS2689 ] Animation C1 ENERGY= 928.7 kJ/mol
Energy+ZPE= 912.5 kJ/mol ZPE= 0.0433774
CONNECTIONS:
o EQ391 o DDC893
[ TS2690 ] Animation C1 ENERGY= 951.6 kJ/mol
Energy+ZPE= 932.3 kJ/mol ZPE= 0.0421913
CONNECTIONS:
o EQ391 o DDC894
[ TS2691 ] Animation Cs ENERGY= 929.9 kJ/mol
Energy+ZPE= 911.5 kJ/mol ZPE= 0.0425341
CONNECTIONS:
o EQ392 o EQ392
[ TS2692 ] Animation C1 ENERGY= 1264.9 kJ/mol
Energy+ZPE= 1232.4 kJ/mol ZPE= 0.0371714
CONNECTIONS:
o EQ392 o EQ509
[ TS2693 ] Animation C1 ENERGY= 1198.4 kJ/mol
Energy+ZPE= 1179.9 kJ/mol ZPE= 0.0425029
CONNECTIONS:
o EQ392 o EQ530
[ TS2694 ] Animation Cs ENERGY= 1456.4 kJ/mol
Energy+ZPE= 1426.6 kJ/mol ZPE= 0.0382102
CONNECTIONS:
o EQ392 o EQ530
[ TS2695 ] Animation C1 ENERGY= 1271.8 kJ/mol
Energy+ZPE= 1252.7 kJ/mol ZPE= 0.0422741
CONNECTIONS:
o EQ392 o EQ542
[ TS2696 ] Animation C1 ENERGY= 1278.3 kJ/mol
Energy+ZPE= 1249.8 kJ/mol ZPE= 0.0386987
CONNECTIONS:
o EQ392 o EQ542
[ TS2697 ] Animation C1 ENERGY= 1071.3 kJ/mol
Energy+ZPE= 1045.3 kJ/mol ZPE= 0.0396367
CONNECTIONS:
o EQ392 o DDC895
[ TS2698 ] Animation C1 ENERGY= 1075.4 kJ/mol
Energy+ZPE= 1046.6 kJ/mol ZPE= 0.0385605
CONNECTIONS:
o EQ392 o DDC896
[ TS2699 ] Animation C1 ENERGY= 1330.5 kJ/mol
Energy+ZPE= 1310.1 kJ/mol ZPE= 0.0417667
CONNECTIONS:
o EQ392 o DDC897
[ TS2700 ] Animation C1 ENERGY= 948.4 kJ/mol
Energy+ZPE= 934.5 kJ/mol ZPE= 0.0442411
CONNECTIONS:
o EQ393 o EQ399
[ TS2701 ] Animation C1 ENERGY= 1039.3 kJ/mol
Energy+ZPE= 1018.3 kJ/mol ZPE= 0.0415519
CONNECTIONS:
o EQ393 o EQ401
[ TS2702 ] Animation C1 ENERGY= 1004.3 kJ/mol
Energy+ZPE= 981.3 kJ/mol ZPE= 0.0408020
CONNECTIONS:
o EQ393 o DDC898
[ TS2703 ] Animation C1 ENERGY= 1013.5 kJ/mol
Energy+ZPE= 990.9 kJ/mol ZPE= 0.0409511
CONNECTIONS:
o EQ393 o DDC899
[ TS2704 ] Animation C1 ENERGY= 1022.5 kJ/mol
Energy+ZPE= 993.1 kJ/mol ZPE= 0.0383666
CONNECTIONS:
o EQ393 o DDC900
[ TS2705 ] Animation C1 ENERGY= 1104.0 kJ/mol
Energy+ZPE= 1080.7 kJ/mol ZPE= 0.0406602
CONNECTIONS:
o EQ393 o DDC901
[ TS2706 ] Animation C1 ENERGY= 951.1 kJ/mol
Energy+ZPE= 934.3 kJ/mol ZPE= 0.0431447
CONNECTIONS:
o EQ394 o EQ400
[ TS2707 ] Animation C1 ENERGY= 968.1 kJ/mol
Energy+ZPE= 950.4 kJ/mol ZPE= 0.0428207
CONNECTIONS:
o EQ394 o EQ420
[ TS2708 ] Animation C1 ENERGY= 1053.1 kJ/mol
Energy+ZPE= 1031.8 kJ/mol ZPE= 0.0414161
CONNECTIONS:
o EQ394 o DDC902
[ TS2709 ] Animation C1 ENERGY= 1077.6 kJ/mol
Energy+ZPE= 1058.1 kJ/mol ZPE= 0.0421129
CONNECTIONS:
o EQ395 o EQ403
[ TS2710 ] Animation C1 ENERGY= 964.5 kJ/mol
Energy+ZPE= 947.2 kJ/mol ZPE= 0.0429535
CONNECTIONS:
o EQ395 o DDC903
[ TS2711 ] Animation C1 ENERGY= 1001.4 kJ/mol
Energy+ZPE= 978.3 kJ/mol ZPE= 0.0407354
CONNECTIONS:
o EQ395 o DDC904
[ TS2712 ] Animation Cs ENERGY= 942.4 kJ/mol
Energy+ZPE= 921.7 kJ/mol ZPE= 0.0416471
CONNECTIONS:
o EQ396 o EQ396
[ TS2713 ] Animation C1 ENERGY= 968.2 kJ/mol
Energy+ZPE= 946.9 kJ/mol ZPE= 0.0414447
CONNECTIONS:
o EQ396 o EQ396
[ TS2714 ] Animation C1 ENERGY= 969.1 kJ/mol
Energy+ZPE= 947.7 kJ/mol ZPE= 0.0414098
CONNECTIONS:
o EQ396 o EQ396
[ TS2715 ] Animation C1 ENERGY= 1110.3 kJ/mol
Energy+ZPE= 1089.7 kJ/mol ZPE= 0.0417134
CONNECTIONS:
o EQ396 o EQ494
[ TS2716 ] Animation C1 ENERGY= 1111.7 kJ/mol
Energy+ZPE= 1090.2 kJ/mol ZPE= 0.0413719
CONNECTIONS:
o EQ396 o EQ494
[ TS2717 ] Animation C1 ENERGY= 955.1 kJ/mol
Energy+ZPE= 933.3 kJ/mol ZPE= 0.0412480
CONNECTIONS:
o EQ396 o DDC905
[ TS2718 ] Animation C1 ENERGY= 975.0 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0401026
CONNECTIONS:
o EQ396 o DDC906
[ TS2719 ] Animation C1 ENERGY= 1000.2 kJ/mol
Energy+ZPE= 976.3 kJ/mol ZPE= 0.0404397
CONNECTIONS:
o EQ396 o DDC907
[ TS2720 ] Animation C1 ENERGY= 972.6 kJ/mol
Energy+ZPE= 952.2 kJ/mol ZPE= 0.0417875
CONNECTIONS:
o EQ397 o EQ402
[ TS2721 ] Animation C1 ENERGY= 1036.2 kJ/mol
Energy+ZPE= 1012.6 kJ/mol ZPE= 0.0405398
CONNECTIONS:
o EQ398 o EQ403
[ TS2722 ] Animation C1 ENERGY= 973.8 kJ/mol
Energy+ZPE= 954.2 kJ/mol ZPE= 0.0420760
CONNECTIONS:
o EQ398 o DDC908
[ TS2723 ] Animation C1 ENERGY= 981.2 kJ/mol
Energy+ZPE= 959.3 kJ/mol ZPE= 0.0412211
CONNECTIONS:
o EQ398 o DDC909
[ TS2724 ] Animation C1 ENERGY= 1027.4 kJ/mol
Energy+ZPE= 1007.7 kJ/mol ZPE= 0.0420463
CONNECTIONS:
o EQ399 o EQ404
[ TS2725 ] Animation C1 ENERGY= 1012.9 kJ/mol
Energy+ZPE= 989.9 kJ/mol ZPE= 0.0407853
CONNECTIONS:
o EQ399 o DDC910
[ TS2726 ] Animation C1 ENERGY= 951.6 kJ/mol
Energy+ZPE= 933.8 kJ/mol ZPE= 0.0427615
CONNECTIONS:
o EQ400 o EQ405
[ TS2727 ] Animation C1 ENERGY= 978.2 kJ/mol
Energy+ZPE= 959.5 kJ/mol ZPE= 0.0424328
CONNECTIONS:
o EQ400 o EQ405
[ TS2728 ] Animation C1 ENERGY= 966.4 kJ/mol
Energy+ZPE= 946.9 kJ/mol ZPE= 0.0421184
CONNECTIONS:
o EQ400 o EQ410
[ TS2729 ] Animation C1 ENERGY= 963.8 kJ/mol
Energy+ZPE= 944.7 kJ/mol ZPE= 0.0422717
CONNECTIONS:
o EQ400 o EQ411
[ TS2730 ] Animation C1 ENERGY= 1197.5 kJ/mol
Energy+ZPE= 1169.4 kJ/mol ZPE= 0.0388505
CONNECTIONS:
o EQ400 o EQ447
[ TS2731 ] Animation C1 ENERGY= 1192.1 kJ/mol
Energy+ZPE= 1165.9 kJ/mol ZPE= 0.0395512
CONNECTIONS:
o EQ400 o EQ520
[ TS2732 ] Animation C1 ENERGY= 1340.3 kJ/mol
Energy+ZPE= 1316.8 kJ/mol ZPE= 0.0405809
CONNECTIONS:
o EQ400 o EQ535
[ TS2733 ] Animation C1 ENERGY= 1094.0 kJ/mol
Energy+ZPE= 1069.9 kJ/mol ZPE= 0.0403701
CONNECTIONS:
o EQ400 o DDC911
[ TS2734 ] Animation C1 ENERGY= 954.3 kJ/mol
Energy+ZPE= 938.7 kJ/mol ZPE= 0.0436008
CONNECTIONS:
o EQ401 o EQ404
[ TS2735 ] Animation Cs ENERGY= 1364.8 kJ/mol
Energy+ZPE= 1334.2 kJ/mol ZPE= 0.0378801
CONNECTIONS:
o EQ401 o EQ574
[ TS2736 ] Animation C1 ENERGY= 1005.5 kJ/mol
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0402858
CONNECTIONS:
o EQ401 o DDC912
[ TS2737 ] Animation C1 ENERGY= 1124.5 kJ/mol
Energy+ZPE= 1099.4 kJ/mol ZPE= 0.0399782
CONNECTIONS:
o EQ401 o DDC913
[ TS2738 ] Animation C1 ENERGY= 974.0 kJ/mol
Energy+ZPE= 955.9 kJ/mol ZPE= 0.0426575
CONNECTIONS:
o EQ403 o EQ418
[ TS2739 ] Animation C1 ENERGY= 973.9 kJ/mol
Energy+ZPE= 956.3 kJ/mol ZPE= 0.0428527
CONNECTIONS:
o EQ403 o DDC914
[ TS2740 ] Animation C1 ENERGY= 1068.1 kJ/mol
Energy+ZPE= 1037.8 kJ/mol ZPE= 0.0380018
CONNECTIONS:
o EQ403 o DDC915
[ TS2741 ] Animation C1 ENERGY= 1069.4 kJ/mol
Energy+ZPE= 1039.0 kJ/mol ZPE= 0.0379656
CONNECTIONS:
o EQ403 o DDC916
[ TS2742 ] Animation C1 ENERGY= 977.9 kJ/mol
Energy+ZPE= 956.6 kJ/mol ZPE= 0.0414526
CONNECTIONS:
o EQ404 o DDC917
[ TS2743 ] Animation C1 ENERGY= 998.0 kJ/mol
Energy+ZPE= 975.0 kJ/mol ZPE= 0.0408001
CONNECTIONS:
o EQ404 o DDC918
[ TS2744 ] Animation C1 ENERGY= 1007.3 kJ/mol
Energy+ZPE= 984.8 kJ/mol ZPE= 0.0409955
CONNECTIONS:
o EQ404 o DDC919
[ TS2745 ] Animation C1 ENERGY= 965.8 kJ/mol
Energy+ZPE= 946.2 kJ/mol ZPE= 0.0420681
CONNECTIONS:
o EQ405 o EQ409
[ TS2746 ] Animation C1 ENERGY= 1265.1 kJ/mol
Energy+ZPE= 1245.1 kJ/mol ZPE= 0.0419421
CONNECTIONS:
o EQ405 o EQ454
[ TS2747 ] Animation C1 ENERGY= 1159.1 kJ/mol
Energy+ZPE= 1133.0 kJ/mol ZPE= 0.0395930
CONNECTIONS:
o EQ405 o EQ518
[ TS2748 ] Animation C1 ENERGY= 1236.2 kJ/mol
Energy+ZPE= 1218.1 kJ/mol ZPE= 0.0426700
CONNECTIONS:
o EQ405 o EQ530
[ TS2749 ] Animation C1 ENERGY= 1252.7 kJ/mol
Energy+ZPE= 1224.8 kJ/mol ZPE= 0.0389249
CONNECTIONS:
o EQ405 o DDC920
[ TS2750 ] Animation C1 ENERGY= 957.9 kJ/mol
Energy+ZPE= 939.8 kJ/mol ZPE= 0.0426552
CONNECTIONS:
o EQ406 o EQ409
[ TS2751 ] Animation C1 ENERGY= 955.5 kJ/mol
Energy+ZPE= 936.6 kJ/mol ZPE= 0.0423427
CONNECTIONS:
o EQ406 o EQ410
[ TS2752 ] Animation C1 ENERGY= 981.4 kJ/mol
Energy+ZPE= 961.7 kJ/mol ZPE= 0.0420598
CONNECTIONS:
o EQ406 o EQ410
[ TS2753 ] Animation C1 ENERGY= 1308.4 kJ/mol
Energy+ZPE= 1284.0 kJ/mol ZPE= 0.0402607
CONNECTIONS:
o EQ406 o EQ415
[ TS2754 ] Animation C1 ENERGY= 967.7 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0428792
CONNECTIONS:
o EQ406 o EQ420
[ TS2755 ] Animation C1 ENERGY= 1217.4 kJ/mol
Energy+ZPE= 1198.4 kJ/mol ZPE= 0.0422989
CONNECTIONS:
o EQ406 o EQ530
[ TS2756 ] Animation C1 ENERGY= 1209.3 kJ/mol
Energy+ZPE= 1181.9 kJ/mol ZPE= 0.0391196
CONNECTIONS:
o EQ406 o EQ532
[ TS2757 ] Animation C1 ENERGY= 1241.6 kJ/mol
Energy+ZPE= 1206.9 kJ/mol ZPE= 0.0363195
CONNECTIONS:
o EQ406 o EQ549
[ TS2758 ] Animation C1 ENERGY= 1205.4 kJ/mol
Energy+ZPE= 1180.1 kJ/mol ZPE= 0.0399123
CONNECTIONS:
o EQ406 o DDC921
[ TS2759 ] Animation C1 ENERGY= 1253.6 kJ/mol
Energy+ZPE= 1223.7 kJ/mol ZPE= 0.0381486
CONNECTIONS:
o EQ406 o DDC922
[ TS2760 ] Animation C1 ENERGY= 970.1 kJ/mol
Energy+ZPE= 949.5 kJ/mol ZPE= 0.0416980
CONNECTIONS:
o EQ407 o EQ414
[ TS2761 ] Animation C1 ENERGY= 989.6 kJ/mol
Energy+ZPE= 970.0 kJ/mol ZPE= 0.0420744
CONNECTIONS:
o EQ407 o EQ415
[ TS2762 ] Animation Cs ENERGY= 953.7 kJ/mol
Energy+ZPE= 939.9 kJ/mol ZPE= 0.0443097
CONNECTIONS:
o EQ408 o EQ408
[ TS2763 ] Animation Cs ENERGY= 1043.7 kJ/mol
Energy+ZPE= 1007.2 kJ/mol ZPE= 0.0356346
CONNECTIONS:
o EQ408 o DDC923
[ TS2764 ] Animation Cs ENERGY= 1032.6 kJ/mol
Energy+ZPE= 1013.2 kJ/mol ZPE= 0.0421612
CONNECTIONS:
o EQ409 o EQ409
[ TS2765 ] Animation C1 ENERGY= 1036.9 kJ/mol
Energy+ZPE= 1014.4 kJ/mol ZPE= 0.0409681
CONNECTIONS:
o EQ409 o EQ410
[ TS2766 ] Animation C1 ENERGY= 956.1 kJ/mol
Energy+ZPE= 937.0 kJ/mol ZPE= 0.0422776
CONNECTIONS:
o EQ409 o EQ411
[ TS2767 ] Animation C1 ENERGY= 1205.6 kJ/mol
Energy+ZPE= 1178.6 kJ/mol ZPE= 0.0392657
CONNECTIONS:
o EQ409 o EQ531
[ TS2768 ] Animation C1 ENERGY= 1238.9 kJ/mol
Energy+ZPE= 1211.5 kJ/mol ZPE= 0.0391181
CONNECTIONS:
o EQ409 o EQ531
[ TS2769 ] Animation C1 ENERGY= 1231.0 kJ/mol
Energy+ZPE= 1212.6 kJ/mol ZPE= 0.0425544
CONNECTIONS:
o EQ409 o EQ534
[ TS2770 ] Animation C1 ENERGY= 1104.6 kJ/mol
Energy+ZPE= 1072.2 kJ/mol ZPE= 0.0371909
CONNECTIONS:
o EQ409 o DDC924
[ TS2771 ] Animation C1 ENERGY= 1121.6 kJ/mol
Energy+ZPE= 1089.3 kJ/mol ZPE= 0.0372624
CONNECTIONS:
o EQ409 o DDC925
[ TS2772 ] Animation C1 ENERGY= 1279.8 kJ/mol
Energy+ZPE= 1240.4 kJ/mol ZPE= 0.0345334
CONNECTIONS:
o EQ409 o DDC926
[ TS2773 ] Animation C1 ENERGY= 958.8 kJ/mol
Energy+ZPE= 940.6 kJ/mol ZPE= 0.0426237
CONNECTIONS:
o EQ410 o EQ411
[ TS2774 ] Animation C1 ENERGY= 1232.1 kJ/mol
Energy+ZPE= 1213.0 kJ/mol ZPE= 0.0422775
CONNECTIONS:
o EQ410 o EQ531
[ TS2775 ] Animation C1 ENERGY= 1207.4 kJ/mol
Energy+ZPE= 1180.6 kJ/mol ZPE= 0.0393228
CONNECTIONS:
o EQ410 o EQ534
[ TS2776 ] Animation C1 ENERGY= 1280.1 kJ/mol
Energy+ZPE= 1240.7 kJ/mol ZPE= 0.0345433
CONNECTIONS:
o EQ410 o DDC927
[ TS2777 ] Animation C1 ENERGY= 1209.1 kJ/mol
Energy+ZPE= 1181.7 kJ/mol ZPE= 0.0391202
CONNECTIONS:
o EQ411 o EQ530
[ TS2778 ] Animation C1 ENERGY= 1213.1 kJ/mol
Energy+ZPE= 1195.3 kJ/mol ZPE= 0.0427586
CONNECTIONS:
o EQ411 o EQ532
[ TS2779 ] Animation C1 ENERGY= 1242.2 kJ/mol
Energy+ZPE= 1207.2 kJ/mol ZPE= 0.0362152
CONNECTIONS:
o EQ411 o EQ550
[ TS2780 ] Animation C1 ENERGY= 972.0 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0412623
CONNECTIONS:
o EQ412 o EQ413
[ TS2781 ] Animation C1 ENERGY= 955.9 kJ/mol
Energy+ZPE= 931.3 kJ/mol ZPE= 0.0401873
CONNECTIONS:
o EQ412 o DDC928
[ TS2782 ] Animation C1 ENERGY= 957.1 kJ/mol
Energy+ZPE= 932.8 kJ/mol ZPE= 0.0403087
CONNECTIONS:
o EQ412 o DDC929
[ TS2783 ] Animation C1 ENERGY= 958.8 kJ/mol
Energy+ZPE= 934.8 kJ/mol ZPE= 0.0404224
CONNECTIONS:
o EQ412 o DDC930
[ TS2784 ] Animation C1 ENERGY= 972.2 kJ/mol
Energy+ZPE= 952.4 kJ/mol ZPE= 0.0420247
CONNECTIONS:
o EQ412 o DDC931
[ TS2785 ] Animation C1 ENERGY= 959.4 kJ/mol
Energy+ZPE= 935.0 kJ/mol ZPE= 0.0402387
CONNECTIONS:
o EQ413 o DDC932
[ TS2786 ] Animation C1 ENERGY= 963.0 kJ/mol
Energy+ZPE= 937.9 kJ/mol ZPE= 0.0399715
CONNECTIONS:
o EQ413 o DDC933
[ TS2787 ] Animation C1 ENERGY= 1296.0 kJ/mol
Energy+ZPE= 1264.7 kJ/mol ZPE= 0.0376422
CONNECTIONS:
o EQ414 o EQ548
[ TS2788 ] Animation C1 ENERGY= 970.4 kJ/mol
Energy+ZPE= 947.9 kJ/mol ZPE= 0.0409832
CONNECTIONS:
o EQ414 o DDC934
[ TS2789 ] Animation Cs ENERGY= 967.1 kJ/mol
Energy+ZPE= 950.2 kJ/mol ZPE= 0.0431068
CONNECTIONS:
o EQ415 o EQ415
[ TS2790 ] Animation C1 ENERGY= 976.3 kJ/mol
Energy+ZPE= 956.2 kJ/mol ZPE= 0.0418820
CONNECTIONS:
o EQ415 o EQ419
[ TS2791 ] Animation C1 ENERGY= 976.7 kJ/mol
Energy+ZPE= 956.7 kJ/mol ZPE= 0.0419184
CONNECTIONS:
o EQ415 o EQ419
[ TS2792 ] Animation C1 ENERGY= 1203.4 kJ/mol
Energy+ZPE= 1181.9 kJ/mol ZPE= 0.0413568
CONNECTIONS:
o EQ415 o EQ464
[ TS2793 ] Animation C1 ENERGY= 1363.8 kJ/mol
Energy+ZPE= 1336.3 kJ/mol ZPE= 0.0390838
CONNECTIONS:
o EQ415 o EQ542
[ TS2794 ] Animation C1 ENERGY= 964.0 kJ/mol
Energy+ZPE= 945.9 kJ/mol ZPE= 0.0426461
CONNECTIONS:
o EQ416 o DDC935
[ TS2795 ] Animation C1 ENERGY= 966.7 kJ/mol
Energy+ZPE= 947.2 kJ/mol ZPE= 0.0421189
CONNECTIONS:
o EQ416 o DDC936
[ TS2796 ] Animation Cs ENERGY= 975.0 kJ/mol
Energy+ZPE= 955.6 kJ/mol ZPE= 0.0421678
CONNECTIONS:
o EQ417 o EQ417
[ TS2797 ] Animation C1 ENERGY= 977.4 kJ/mol
Energy+ZPE= 956.4 kJ/mol ZPE= 0.0415465
CONNECTIONS:
o EQ417 o EQ421
[ TS2798 ] Animation Cs ENERGY= 970.0 kJ/mol
Energy+ZPE= 953.4 kJ/mol ZPE= 0.0432107
CONNECTIONS:
o EQ418 o EQ418
[ TS2799 ] Animation C1 ENERGY= 1051.8 kJ/mol
Energy+ZPE= 1027.4 kJ/mol ZPE= 0.0402565
CONNECTIONS:
o EQ418 o DDC937
[ TS2800 ] Animation C1 ENERGY= 1053.9 kJ/mol
Energy+ZPE= 1029.1 kJ/mol ZPE= 0.0401175
CONNECTIONS:
o EQ418 o DDC938
[ TS2801 ] Animation Cs ENERGY= 974.0 kJ/mol
Energy+ZPE= 954.6 kJ/mol ZPE= 0.0421761
CONNECTIONS:
o EQ419 o EQ419
[ TS2802 ] Animation C1 ENERGY= 1137.1 kJ/mol
Energy+ZPE= 1117.8 kJ/mol ZPE= 0.0421981
CONNECTIONS:
o EQ419 o EQ509
[ TS2803 ] Animation C1 ENERGY= 1266.0 kJ/mol
Energy+ZPE= 1247.1 kJ/mol ZPE= 0.0423447
CONNECTIONS:
o EQ419 o EQ542
[ TS2804 ] Animation C1 ENERGY= 1282.9 kJ/mol
Energy+ZPE= 1262.2 kJ/mol ZPE= 0.0416471
CONNECTIONS:
o EQ419 o EQ546
[ TS2805 ] Animation C1 ENERGY= 1299.2 kJ/mol
Energy+ZPE= 1268.8 kJ/mol ZPE= 0.0379602
CONNECTIONS:
o EQ419 o EQ546
[ TS2806 ] Animation C1 ENERGY= 1300.2 kJ/mol
Energy+ZPE= 1278.9 kJ/mol ZPE= 0.0414325
CONNECTIONS:
o EQ419 o EQ546
[ TS2807 ] Animation C1 ENERGY= 969.3 kJ/mol
Energy+ZPE= 948.2 kJ/mol ZPE= 0.0414959
CONNECTIONS:
o EQ419 o DDC939
[ TS2808 ] Animation C1 ENERGY= 1334.0 kJ/mol
Energy+ZPE= 1305.5 kJ/mol ZPE= 0.0386743
CONNECTIONS:
o EQ419 o DDC940
[ TS2809 ] Animation C1 ENERGY= 1087.4 kJ/mol
Energy+ZPE= 1061.5 kJ/mol ZPE= 0.0396974
CONNECTIONS:
o EQ420 o EQ467
[ TS2810 ] Animation C1 ENERGY= 1086.2 kJ/mol
Energy+ZPE= 1058.8 kJ/mol ZPE= 0.0391096
CONNECTIONS:
o EQ420 o EQ482
[ TS2811 ] Animation Cs ENERGY= 972.5 kJ/mol
Energy+ZPE= 955.7 kJ/mol ZPE= 0.0431373
CONNECTIONS:
o EQ421 o EQ421
[ TS2812 ] Animation C1 ENERGY= 1202.5 kJ/mol
Energy+ZPE= 1177.0 kJ/mol ZPE= 0.0398272
CONNECTIONS:
o EQ421 o EQ538
[ TS2813 ] Animation C1 ENERGY= 1196.4 kJ/mol
Energy+ZPE= 1168.7 kJ/mol ZPE= 0.0390125
CONNECTIONS:
o EQ421 o DDC941
[ TS2814 ] Animation C1 ENERGY= 1198.0 kJ/mol
Energy+ZPE= 1170.7 kJ/mol ZPE= 0.0391622
CONNECTIONS:
o EQ421 o DDC942
[ TS2815 ] Animation C1 ENERGY= 1234.7 kJ/mol
Energy+ZPE= 1211.4 kJ/mol ZPE= 0.0406689
CONNECTIONS:
o EQ421 o DDC943
[ TS2816 ] Animation C1 ENERGY= 976.1 kJ/mol
Energy+ZPE= 951.7 kJ/mol ZPE= 0.0402515
CONNECTIONS:
o EQ422 o EQ422
[ TS2817 ] Animation Cs ENERGY= 978.9 kJ/mol
Energy+ZPE= 954.6 kJ/mol ZPE= 0.0402766
CONNECTIONS:
o EQ422 o EQ422
[ TS2818 ] Animation C1 ENERGY= 1014.9 kJ/mol
Energy+ZPE= 990.0 kJ/mol ZPE= 0.0400639
CONNECTIONS:
o EQ422 o DDC944
[ TS2819 ] Animation C1 ENERGY= 1118.8 kJ/mol
Energy+ZPE= 1091.3 kJ/mol ZPE= 0.0390707
CONNECTIONS:
o EQ423 o EQ483
[ TS2820 ] Animation C1 ENERGY= 981.9 kJ/mol
Energy+ZPE= 958.6 kJ/mol ZPE= 0.0406695
CONNECTIONS:
o EQ423 o DDC945
[ TS2821 ] Animation C1 ENERGY= 1005.2 kJ/mol
Energy+ZPE= 976.0 kJ/mol ZPE= 0.0384138
CONNECTIONS:
o EQ423 o DDC946
[ TS2822 ] Animation C1 ENERGY= 1058.4 kJ/mol
Energy+ZPE= 1032.3 kJ/mol ZPE= 0.0396205
CONNECTIONS:
o EQ424 o EQ428
[ TS2823 ] Animation C1 ENERGY= 999.8 kJ/mol
Energy+ZPE= 979.4 kJ/mol ZPE= 0.0417924
CONNECTIONS:
o EQ424 o EQ433
[ TS2824 ] Animation C1 ENERGY= 1002.6 kJ/mol
Energy+ZPE= 982.6 kJ/mol ZPE= 0.0419357
CONNECTIONS:
o EQ424 o DDC947
[ TS2825 ] Animation Cs ENERGY= 1077.0 kJ/mol
Energy+ZPE= 1044.7 kJ/mol ZPE= 0.0372314
CONNECTIONS:
o EQ424 o DDC948
[ TS2826 ] Animation C1 ENERGY= 986.3 kJ/mol
Energy+ZPE= 971.2 kJ/mol ZPE= 0.0438052
CONNECTIONS:
o EQ426 o EQ436
[ TS2827 ] Animation C1 ENERGY= 988.3 kJ/mol
Energy+ZPE= 969.7 kJ/mol ZPE= 0.0424587
CONNECTIONS:
o EQ426 o DDC949
[ TS2828 ] Animation C1 ENERGY= 992.8 kJ/mol
Energy+ZPE= 975.4 kJ/mol ZPE= 0.0429066
CONNECTIONS:
o EQ426 o DDC950
[ TS2829 ] Animation C1 ENERGY= 999.5 kJ/mol
Energy+ZPE= 980.9 kJ/mol ZPE= 0.0424778
CONNECTIONS:
o EQ426 o DDC951
[ TS2830 ] Animation Cs ENERGY= 991.0 kJ/mol
Energy+ZPE= 972.1 kJ/mol ZPE= 0.0423553
CONNECTIONS:
o EQ427 o EQ427
[ TS2831 ] Animation Cs ENERGY= 1067.3 kJ/mol
Energy+ZPE= 1050.9 kJ/mol ZPE= 0.0433117
CONNECTIONS:
o EQ427 o EQ427
[ TS2832 ] Animation C1 ENERGY= 1025.9 kJ/mol
Energy+ZPE= 1005.8 kJ/mol ZPE= 0.0418781
CONNECTIONS:
o EQ427 o EQ440
[ TS2833 ] Animation C1 ENERGY= 1079.7 kJ/mol
Energy+ZPE= 1058.7 kJ/mol ZPE= 0.0415308
CONNECTIONS:
o EQ427 o EQ440
[ TS2834 ] Animation C1 ENERGY= 985.7 kJ/mol
Energy+ZPE= 965.3 kJ/mol ZPE= 0.0417843
CONNECTIONS:
o EQ427 o DDC952
[ TS2835 ] Animation C1 ENERGY= 988.4 kJ/mol
Energy+ZPE= 965.6 kJ/mol ZPE= 0.0408590
CONNECTIONS:
o EQ427 o DDC953
[ TS2836 ] Animation C1 ENERGY= 1005.6 kJ/mol
Energy+ZPE= 983.2 kJ/mol ZPE= 0.0409980
CONNECTIONS:
o EQ428 o DDC954
[ TS2837 ] Animation C1 ENERGY= 1006.2 kJ/mol
Energy+ZPE= 984.3 kJ/mol ZPE= 0.0412174
CONNECTIONS:
o EQ428 o DDC955
[ TS2838 ] Animation Cs ENERGY= 1075.5 kJ/mol
Energy+ZPE= 1039.0 kJ/mol ZPE= 0.0356433
CONNECTIONS:
o EQ428 o DDC956
[ TS2839 ] Animation Cs ENERGY= 1094.2 kJ/mol
Energy+ZPE= 1058.6 kJ/mol ZPE= 0.0359744
CONNECTIONS:
o EQ428 o DDC957
[ TS2840 ] Animation C1 ENERGY= 993.9 kJ/mol
Energy+ZPE= 971.6 kJ/mol ZPE= 0.0410485
CONNECTIONS:
o EQ429 o EQ432
[ TS2841 ] Animation C1 ENERGY= 1032.8 kJ/mol
Energy+ZPE= 1012.3 kJ/mol ZPE= 0.0417296
CONNECTIONS:
o EQ429 o EQ452
[ TS2842 ] Animation C1 ENERGY= 978.9 kJ/mol
Energy+ZPE= 958.4 kJ/mol ZPE= 0.0417415
CONNECTIONS:
o EQ429 o DDC958
[ TS2843 ] Animation C1 ENERGY= 980.1 kJ/mol
Energy+ZPE= 959.3 kJ/mol ZPE= 0.0416346
CONNECTIONS:
o EQ429 o DDC959
[ TS2844 ] Animation C1 ENERGY= 982.9 kJ/mol
Energy+ZPE= 962.6 kJ/mol ZPE= 0.0418021
CONNECTIONS:
o EQ429 o DDC960
[ TS2845 ] Animation C1 ENERGY= 983.0 kJ/mol
Energy+ZPE= 962.4 kJ/mol ZPE= 0.0416898
CONNECTIONS:
o EQ429 o DDC961
[ TS2846 ] Animation C1 ENERGY= 1024.9 kJ/mol
Energy+ZPE= 1001.3 kJ/mol ZPE= 0.0405506
CONNECTIONS:
o EQ429 o DDC962
[ TS2847 ] Animation C1 ENERGY= 1027.0 kJ/mol
Energy+ZPE= 1003.5 kJ/mol ZPE= 0.0406074
CONNECTIONS:
o EQ429 o DDC963
[ TS2848 ] Animation Cs ENERGY= 982.2 kJ/mol
Energy+ZPE= 957.9 kJ/mol ZPE= 0.0402737
CONNECTIONS:
o EQ430 o EQ430
[ TS2849 ] Animation C1 ENERGY= 985.3 kJ/mol
Energy+ZPE= 959.8 kJ/mol ZPE= 0.0398430
CONNECTIONS:
o EQ430 o DDC964
[ TS2850 ] Animation C1 ENERGY= 1006.2 kJ/mol
Energy+ZPE= 969.6 kJ/mol ZPE= 0.0355996
CONNECTIONS:
o EQ430 o DDC965
[ TS2851 ] Animation C1 ENERGY= 1006.3 kJ/mol
Energy+ZPE= 969.5 kJ/mol ZPE= 0.0355413
CONNECTIONS:
o EQ430 o DDC966
[ TS2852 ] Animation C1 ENERGY= 984.1 kJ/mol
Energy+ZPE= 957.4 kJ/mol ZPE= 0.0393651
CONNECTIONS:
o EQ431 o EQ435
[ TS2853 ] Animation C1 ENERGY= 1199.3 kJ/mol
Energy+ZPE= 1169.8 kJ/mol ZPE= 0.0383145
CONNECTIONS:
o EQ431 o EQ537
[ TS2854 ] Animation C1 ENERGY= 985.8 kJ/mol
Energy+ZPE= 960.4 kJ/mol ZPE= 0.0398596
CONNECTIONS:
o EQ431 o DDC967
[ TS2855 ] Animation C1 ENERGY= 990.6 kJ/mol
Energy+ZPE= 965.3 kJ/mol ZPE= 0.0399248
CONNECTIONS:
o EQ431 o DDC968
[ TS2856 ] Animation C1 ENERGY= 1000.3 kJ/mol
Energy+ZPE= 974.4 kJ/mol ZPE= 0.0396866
CONNECTIONS:
o EQ431 o DDC969
[ TS2857 ] Animation C1 ENERGY= 1037.1 kJ/mol
Energy+ZPE= 1015.7 kJ/mol ZPE= 0.0413999
CONNECTIONS:
o EQ431 o DDC970
[ TS2858 ] Animation C1 ENERGY= 1042.9 kJ/mol
Energy+ZPE= 1022.0 kJ/mol ZPE= 0.0415682
CONNECTIONS:
o EQ431 o DDC971
[ TS2859 ] Animation C1 ENERGY= 1167.0 kJ/mol
Energy+ZPE= 1143.3 kJ/mol ZPE= 0.0405282
CONNECTIONS:
o EQ431 o DDC972
[ TS2860 ] Animation C1 ENERGY= 1171.4 kJ/mol
Energy+ZPE= 1143.6 kJ/mol ZPE= 0.0389500
CONNECTIONS:
o EQ431 o DDC973
[ TS2861 ] Animation C1 ENERGY= 1243.0 kJ/mol
Energy+ZPE= 1213.8 kJ/mol ZPE= 0.0384434
CONNECTIONS:
o EQ431 o DDC974
[ TS2862 ] Animation C1 ENERGY= 1034.2 kJ/mol
Energy+ZPE= 1011.9 kJ/mol ZPE= 0.0410439
CONNECTIONS:
o EQ432 o EQ437
[ TS2863 ] Animation C1 ENERGY= 986.0 kJ/mol
Energy+ZPE= 966.4 kJ/mol ZPE= 0.0420910
CONNECTIONS:
o EQ432 o DDC975
[ TS2864 ] Animation C1 ENERGY= 991.6 kJ/mol
Energy+ZPE= 971.5 kJ/mol ZPE= 0.0418976
CONNECTIONS:
o EQ432 o DDC976
[ TS2865 ] Animation C1 ENERGY= 1130.3 kJ/mol
Energy+ZPE= 1096.1 kJ/mol ZPE= 0.0365239
CONNECTIONS:
o EQ432 o DDC977
[ TS2866 ] Animation Cs ENERGY= 983.3 kJ/mol
Energy+ZPE= 964.3 kJ/mol ZPE= 0.0423184
CONNECTIONS:
o EQ433 o EQ433
[ TS2867 ] Animation C1 ENERGY= 1015.4 kJ/mol
Energy+ZPE= 994.9 kJ/mol ZPE= 0.0417519
CONNECTIONS:
o EQ433 o EQ446
[ TS2868 ] Animation C1 ENERGY= 1026.7 kJ/mol
Energy+ZPE= 1004.4 kJ/mol ZPE= 0.0410707
CONNECTIONS:
o EQ433 o DDC978
[ TS2869 ] Animation C1 ENERGY= 1079.2 kJ/mol
Energy+ZPE= 1046.7 kJ/mol ZPE= 0.0371781
CONNECTIONS:
o EQ433 o DDC979
[ TS2870 ] Animation C1 ENERGY= 1024.5 kJ/mol
Energy+ZPE= 989.5 kJ/mol ZPE= 0.0362052
CONNECTIONS:
o EQ434 o EQ455
[ TS2871 ] Animation C1 ENERGY= 1198.5 kJ/mol
Energy+ZPE= 1169.3 kJ/mol ZPE= 0.0384105
CONNECTIONS:
o EQ435 o EQ529
[ TS2872 ] Animation C1 ENERGY= 1210.6 kJ/mol
Energy+ZPE= 1181.6 kJ/mol ZPE= 0.0385102
CONNECTIONS:
o EQ435 o EQ539
[ TS2873 ] Animation C1 ENERGY= 986.2 kJ/mol
Energy+ZPE= 959.9 kJ/mol ZPE= 0.0395144
CONNECTIONS:
o EQ435 o DDC980
[ TS2874 ] Animation C1 ENERGY= 988.8 kJ/mol
Energy+ZPE= 964.2 kJ/mol ZPE= 0.0401782
CONNECTIONS:
o EQ435 o DDC981
[ TS2875 ] Animation C1 ENERGY= 994.8 kJ/mol
Energy+ZPE= 969.1 kJ/mol ZPE= 0.0397436
CONNECTIONS:
o EQ435 o DDC982
[ TS2876 ] Animation C1 ENERGY= 1043.2 kJ/mol
Energy+ZPE= 1022.5 kJ/mol ZPE= 0.0416749
CONNECTIONS:
o EQ435 o DDC983
[ TS2877 ] Animation C1 ENERGY= 1130.3 kJ/mol
Energy+ZPE= 1093.3 kJ/mol ZPE= 0.0354406
CONNECTIONS:
o EQ435 o DDC984
[ TS2878 ] Animation C1 ENERGY= 1203.2 kJ/mol
Energy+ZPE= 1173.0 kJ/mol ZPE= 0.0380586
CONNECTIONS:
o EQ435 o DDC985
[ TS2879 ] Animation C1 ENERGY= 1274.5 kJ/mol
Energy+ZPE= 1243.2 kJ/mol ZPE= 0.0376221
CONNECTIONS:
o EQ435 o DDC986
[ TS2880 ] Animation Cs ENERGY= 1103.2 kJ/mol
Energy+ZPE= 1088.0 kJ/mol ZPE= 0.0437584
CONNECTIONS:
o EQ436 o DDC987
[ TS2881 ] Animation C1 ENERGY= 999.9 kJ/mol
Energy+ZPE= 977.3 kJ/mol ZPE= 0.0409360
CONNECTIONS:
o EQ437 o EQ439
[ TS2882 ] Animation C1 ENERGY= 988.6 kJ/mol
Energy+ZPE= 968.8 kJ/mol ZPE= 0.0420185
CONNECTIONS:
o EQ437 o DDC988
[ TS2883 ] Animation C1 ENERGY= 998.5 kJ/mol
Energy+ZPE= 978.4 kJ/mol ZPE= 0.0418900
CONNECTIONS:
o EQ437 o DDC989
[ TS2884 ] Animation C1 ENERGY= 1031.6 kJ/mol
Energy+ZPE= 1013.4 kJ/mol ZPE= 0.0426263
CONNECTIONS:
o EQ437 o DDC990
[ TS2885 ] Animation C1 ENERGY= 1040.4 kJ/mol
Energy+ZPE= 1023.4 kJ/mol ZPE= 0.0430891
CONNECTIONS:
o EQ438 o EQ444
[ TS2886 ] Animation Cs ENERGY= 1168.0 kJ/mol
Energy+ZPE= 1138.9 kJ/mol ZPE= 0.0384450
CONNECTIONS:
o EQ438 o EQ495
[ TS2887 ] Animation C1 ENERGY= 1077.7 kJ/mol
Energy+ZPE= 1058.7 kJ/mol ZPE= 0.0423149
CONNECTIONS:
o EQ438 o DDC991
[ TS2888 ] Animation C1 ENERGY= 1085.6 kJ/mol
Energy+ZPE= 1065.7 kJ/mol ZPE= 0.0419496
CONNECTIONS:
o EQ438 o DDC992
[ TS2889 ] Animation C1 ENERGY= 1088.0 kJ/mol
Energy+ZPE= 1070.6 kJ/mol ZPE= 0.0429155
CONNECTIONS:
o EQ438 o DDC993
[ TS2890 ] Animation C1 ENERGY= 1145.7 kJ/mol
Energy+ZPE= 1117.4 kJ/mol ZPE= 0.0387639
CONNECTIONS:
o EQ438 o DDC994
[ TS2891 ] Animation C1 ENERGY= 1176.9 kJ/mol
Energy+ZPE= 1155.0 kJ/mol ZPE= 0.0412210
CONNECTIONS:
o EQ438 o DDC995
[ TS2892 ] Animation C1 ENERGY= 1181.6 kJ/mol
Energy+ZPE= 1159.9 kJ/mol ZPE= 0.0412812
CONNECTIONS:
o EQ438 o DDC996
[ TS2893 ] Animation C1 ENERGY= 988.3 kJ/mol
Energy+ZPE= 967.5 kJ/mol ZPE= 0.0416189
CONNECTIONS:
o EQ439 o DDC997
[ TS2894 ] Animation C1 ENERGY= 994.1 kJ/mol
Energy+ZPE= 973.2 kJ/mol ZPE= 0.0415804
CONNECTIONS:
o EQ439 o DDC998
[ TS2895 ] Animation C1 ENERGY= 995.5 kJ/mol
Energy+ZPE= 974.3 kJ/mol ZPE= 0.0414594
CONNECTIONS:
o EQ439 o DDC999
[ TS2896 ] Animation Cs ENERGY= 989.8 kJ/mol
Energy+ZPE= 973.0 kJ/mol ZPE= 0.0431489
CONNECTIONS:
o EQ440 o EQ440
[ TS2897 ] Animation C2 ENERGY= 1046.4 kJ/mol
Energy+ZPE= 1028.3 kJ/mol ZPE= 0.0426456
CONNECTIONS:
o EQ440 o EQ440
[ TS2898 ] Animation C1 ENERGY= 1029.3 kJ/mol
Energy+ZPE= 1012.1 kJ/mol ZPE= 0.0429777
CONNECTIONS:
o EQ440 o EQ442
[ TS2899 ] Animation C1 ENERGY= 1210.3 kJ/mol
Energy+ZPE= 1188.8 kJ/mol ZPE= 0.0413760
CONNECTIONS:
o EQ440 o EQ508
[ TS2900 ] Animation C1 ENERGY= 1194.5 kJ/mol
Energy+ZPE= 1174.5 kJ/mol ZPE= 0.0419476
CONNECTIONS:
o EQ440 o EQ536
[ TS2901 ] Animation C1 ENERGY= 1206.4 kJ/mol
Energy+ZPE= 1183.9 kJ/mol ZPE= 0.0409838
CONNECTIONS:
o EQ440 o EQ536
[ TS2902 ] Animation C1 ENERGY= 996.2 kJ/mol
Energy+ZPE= 980.9 kJ/mol ZPE= 0.0437375
CONNECTIONS:
o EQ441 o DDC1000
[ TS2903 ] Animation Cs ENERGY= 1024.6 kJ/mol
Energy+ZPE= 1005.7 kJ/mol ZPE= 0.0423438
CONNECTIONS:
o EQ442 o EQ442
[ TS2904 ] Animation C1 ENERGY= 1140.2 kJ/mol
Energy+ZPE= 1116.7 kJ/mol ZPE= 0.0406006
CONNECTIONS:
o EQ442 o DDC1001
[ TS2905 ] Animation C1 ENERGY= 1145.7 kJ/mol
Energy+ZPE= 1113.0 kJ/mol ZPE= 0.0371004
CONNECTIONS:
o EQ442 o DDC1002
[ TS2906 ] Animation C1 ENERGY= 1004.1 kJ/mol
Energy+ZPE= 975.0 kJ/mol ZPE= 0.0384725
CONNECTIONS:
o EQ443 o DDC1003
[ TS2907 ] Animation C1 ENERGY= 1151.4 kJ/mol
Energy+ZPE= 1123.5 kJ/mol ZPE= 0.0389138
CONNECTIONS:
o EQ443 o DDC1004
[ TS2908 ] Animation C1 ENERGY= 1152.0 kJ/mol
Energy+ZPE= 1123.9 kJ/mol ZPE= 0.0388425
CONNECTIONS:
o EQ443 o DDC1005
[ TS2909 ] Animation C1 ENERGY= 1179.9 kJ/mol
Energy+ZPE= 1150.7 kJ/mol ZPE= 0.0384095
CONNECTIONS:
o EQ443 o DDC1006
[ TS2910 ] Animation C1 ENERGY= 1109.3 kJ/mol
Energy+ZPE= 1089.5 kJ/mol ZPE= 0.0419921
CONNECTIONS:
o EQ444 o DDC1007
[ TS2911 ] Animation C1 ENERGY= 1110.1 kJ/mol
Energy+ZPE= 1090.0 kJ/mol ZPE= 0.0418890
CONNECTIONS:
o EQ444 o DDC1008
[ TS2912 ] Animation C1 ENERGY= 1136.2 kJ/mol
Energy+ZPE= 1107.0 kJ/mol ZPE= 0.0384263
CONNECTIONS:
o EQ444 o DDC1009
[ TS2913 ] Animation C1 ENERGY= 1200.7 kJ/mol
Energy+ZPE= 1178.6 kJ/mol ZPE= 0.0411425
CONNECTIONS:
o EQ444 o DDC1010
[ TS2914 ] Animation C1 ENERGY= 1019.0 kJ/mol
Energy+ZPE= 1004.1 kJ/mol ZPE= 0.0438885
CONNECTIONS:
o EQ445 o EQ449
[ TS2915 ] Animation C1 ENERGY= 1042.3 kJ/mol
Energy+ZPE= 1024.7 kJ/mol ZPE= 0.0428480
CONNECTIONS:
o EQ445 o EQ449
[ TS2916 ] Animation C1 ENERGY= 1322.0 kJ/mol
Energy+ZPE= 1293.1 kJ/mol ZPE= 0.0385400
CONNECTIONS:
o EQ445 o EQ451
[ TS2917 ] Animation C1 ENERGY= 1307.4 kJ/mol
Energy+ZPE= 1277.2 kJ/mol ZPE= 0.0380296
CONNECTIONS:
o EQ445 o EQ520
[ TS2918 ] Animation C1 ENERGY= 1229.6 kJ/mol
Energy+ZPE= 1207.8 kJ/mol ZPE= 0.0412405
CONNECTIONS:
o EQ445 o EQ531
[ TS2919 ] Animation C1 ENERGY= 1229.9 kJ/mol
Energy+ZPE= 1207.9 kJ/mol ZPE= 0.0411671
CONNECTIONS:
o EQ445 o EQ531
[ TS2920 ] Animation C1 ENERGY= 1234.7 kJ/mol
Energy+ZPE= 1212.6 kJ/mol ZPE= 0.0411303
CONNECTIONS:
o EQ445 o EQ534
[ TS2921 ] Animation C1 ENERGY= 1236.2 kJ/mol
Energy+ZPE= 1213.9 kJ/mol ZPE= 0.0410432
CONNECTIONS:
o EQ445 o EQ534
[ TS2922 ] Animation C1 ENERGY= 1032.4 kJ/mol
Energy+ZPE= 999.5 kJ/mol ZPE= 0.0369982
CONNECTIONS:
o EQ446 o DDC1011
[ TS2923 ] Animation C1 ENERGY= 1077.2 kJ/mol
Energy+ZPE= 1059.2 kJ/mol ZPE= 0.0426743
CONNECTIONS:
o EQ447 o EQ459
[ TS2924 ] Animation C1 ENERGY= 1070.5 kJ/mol
Energy+ZPE= 1047.5 kJ/mol ZPE= 0.0407816
CONNECTIONS:
o EQ447 o EQ478
[ TS2925 ] Animation C1 ENERGY= 1053.1 kJ/mol
Energy+ZPE= 1031.3 kJ/mol ZPE= 0.0412254
CONNECTIONS:
o EQ447 o EQ479
[ TS2926 ] Animation C1 ENERGY= 1134.3 kJ/mol
Energy+ZPE= 1108.5 kJ/mol ZPE= 0.0397228
CONNECTIONS:
o EQ447 o EQ486
[ TS2927 ] Animation C1 ENERGY= 1199.5 kJ/mol
Energy+ZPE= 1179.7 kJ/mol ZPE= 0.0420086
CONNECTIONS:
o EQ447 o EQ530
[ TS2928 ] Animation C1 ENERGY= 1205.1 kJ/mol
Energy+ZPE= 1185.7 kJ/mol ZPE= 0.0421589
CONNECTIONS:
o EQ447 o EQ532
[ TS2929 ] Animation C1 ENERGY= 1206.7 kJ/mol
Energy+ZPE= 1187.3 kJ/mol ZPE= 0.0421538
CONNECTIONS:
o EQ447 o EQ534
[ TS2930 ] Animation C1 ENERGY= 1212.0 kJ/mol
Energy+ZPE= 1189.1 kJ/mol ZPE= 0.0408154
CONNECTIONS:
o EQ447 o DDC1012
[ TS2931 ] Animation C1 ENERGY= 1349.9 kJ/mol
Energy+ZPE= 1320.0 kJ/mol ZPE= 0.0381760
CONNECTIONS:
o EQ448 o DDC1013
[ TS2932 ] Animation C1 ENERGY= 1294.4 kJ/mol
Energy+ZPE= 1265.4 kJ/mol ZPE= 0.0385026
CONNECTIONS:
o EQ449 o EQ458
[ TS2933 ] Animation C1 ENERGY= 1295.4 kJ/mol
Energy+ZPE= 1265.5 kJ/mol ZPE= 0.0381577
CONNECTIONS:
o EQ449 o EQ474
[ TS2934 ] Animation C1 ENERGY= 1201.1 kJ/mol
Energy+ZPE= 1172.5 kJ/mol ZPE= 0.0386510
CONNECTIONS:
o EQ449 o EQ509
[ TS2935 ] Animation C1 ENERGY= 1236.9 kJ/mol
Energy+ZPE= 1214.0 kJ/mol ZPE= 0.0408325
CONNECTIONS:
o EQ449 o EQ532
[ TS2936 ] Animation C1 ENERGY= 1026.8 kJ/mol
Energy+ZPE= 1007.5 kJ/mol ZPE= 0.0422061
CONNECTIONS:
o EQ450 o EQ452
[ TS2937 ] Animation C1 ENERGY= 1027.5 kJ/mol
Energy+ZPE= 1008.3 kJ/mol ZPE= 0.0422258
CONNECTIONS:
o EQ450 o EQ453
[ TS2938 ] Animation C1 ENERGY= 1048.1 kJ/mol
Energy+ZPE= 1027.3 kJ/mol ZPE= 0.0416167
CONNECTIONS:
o EQ450 o EQ457
[ TS2939 ] Animation C1 ENERGY= 1057.0 kJ/mol
Energy+ZPE= 1036.0 kJ/mol ZPE= 0.0415391
CONNECTIONS:
o EQ450 o EQ457
[ TS2940 ] Animation C1 ENERGY= 1142.7 kJ/mol
Energy+ZPE= 1122.1 kJ/mol ZPE= 0.0417117
CONNECTIONS:
o EQ450 o EQ489
[ TS2941 ] Animation C1 ENERGY= 1020.5 kJ/mol
Energy+ZPE= 1000.9 kJ/mol ZPE= 0.0420949
CONNECTIONS:
o EQ450 o DDC1014
[ TS2942 ] Animation C1 ENERGY= 1033.2 kJ/mol
Energy+ZPE= 1020.1 kJ/mol ZPE= 0.0445633
CONNECTIONS:
o EQ451 o EQ454
[ TS2943 ] Animation C1 ENERGY= 1038.3 kJ/mol
Energy+ZPE= 1025.3 kJ/mol ZPE= 0.0445983
CONNECTIONS:
o EQ451 o EQ454
[ TS2944 ] Animation C1 ENERGY= 1043.5 kJ/mol
Energy+ZPE= 1028.4 kJ/mol ZPE= 0.0437812
CONNECTIONS:
o EQ451 o EQ454
[ TS2945 ] Animation C1 ENERGY= 1207.4 kJ/mol
Energy+ZPE= 1190.3 kJ/mol ZPE= 0.0430477
CONNECTIONS:
o EQ451 o EQ540
[ TS2946 ] Animation C1 ENERGY= 1102.9 kJ/mol
Energy+ZPE= 1089.0 kJ/mol ZPE= 0.0442601
CONNECTIONS:
o EQ451 o DDC1015
[ TS2947 ] Animation C1 ENERGY= 1343.4 kJ/mol
Energy+ZPE= 1315.5 kJ/mol ZPE= 0.0389378
CONNECTIONS:
o EQ451 o DDC1016
[ TS2948 ] Animation C1 ENERGY= 1022.6 kJ/mol
Energy+ZPE= 1003.5 kJ/mol ZPE= 0.0422861
CONNECTIONS:
o EQ452 o EQ453
[ TS2949 ] Animation C1 ENERGY= 1049.8 kJ/mol
Energy+ZPE= 1028.7 kJ/mol ZPE= 0.0414976
CONNECTIONS:
o EQ452 o EQ456
[ TS2950 ] Animation C1 ENERGY= 1053.1 kJ/mol
Energy+ZPE= 1032.0 kJ/mol ZPE= 0.0415254
CONNECTIONS:
o EQ452 o EQ456
[ TS2951 ] Animation C1 ENERGY= 1143.2 kJ/mol
Energy+ZPE= 1122.4 kJ/mol ZPE= 0.0416399
CONNECTIONS:
o EQ452 o EQ491
[ TS2952 ] Animation C1 ENERGY= 1023.3 kJ/mol
Energy+ZPE= 1002.9 kJ/mol ZPE= 0.0417952
CONNECTIONS:
o EQ452 o DDC1017
[ TS2953 ] Animation C1 ENERGY= 1135.1 kJ/mol
Energy+ZPE= 1104.2 kJ/mol ZPE= 0.0377641
CONNECTIONS:
o EQ452 o DDC1018
[ TS2954 ] Animation C1 ENERGY= 1249.6 kJ/mol
Energy+ZPE= 1229.2 kJ/mol ZPE= 0.0417844
CONNECTIONS:
o EQ454 o EQ512
[ TS2955 ] Animation C1 ENERGY= 1303.0 kJ/mol
Energy+ZPE= 1280.3 kJ/mol ZPE= 0.0409149
CONNECTIONS:
o EQ454 o EQ533
[ TS2956 ] Animation Cs ENERGY= 1404.1 kJ/mol
Energy+ZPE= 1379.1 kJ/mol ZPE= 0.0400278
CONNECTIONS:
o EQ454 o EQ548
[ TS2957 ] Animation C1 ENERGY= 1366.4 kJ/mol
Energy+ZPE= 1337.0 kJ/mol ZPE= 0.0383385
CONNECTIONS:
o EQ454 o EQ559
[ TS2958 ] Animation C1 ENERGY= 1369.6 kJ/mol
Energy+ZPE= 1340.2 kJ/mol ZPE= 0.0383450
CONNECTIONS:
o EQ454 o EQ563
[ TS2959 ] Animation C1 ENERGY= 1237.8 kJ/mol
Energy+ZPE= 1220.2 kJ/mol ZPE= 0.0428424
CONNECTIONS:
o EQ454 o DDC1019
[ TS2960 ] Animation C1 ENERGY= 1024.3 kJ/mol
Energy+ZPE= 994.2 kJ/mol ZPE= 0.0380981
CONNECTIONS:
o EQ455 o DDC1020
[ TS2961 ] Animation C1 ENERGY= 1027.3 kJ/mol
Energy+ZPE= 995.6 kJ/mol ZPE= 0.0374874
CONNECTIONS:
o EQ455 o DDC1021
[ TS2962 ] Animation C1 ENERGY= 1031.5 kJ/mol
Energy+ZPE= 1012.0 kJ/mol ZPE= 0.0421034
CONNECTIONS:
o EQ456 o EQ457
[ TS2963 ] Animation C1 ENERGY= 1039.4 kJ/mol
Energy+ZPE= 1019.5 kJ/mol ZPE= 0.0419648
CONNECTIONS:
o EQ456 o EQ457
[ TS2964 ] Animation C1 ENERGY= 1026.4 kJ/mol
Energy+ZPE= 1006.7 kJ/mol ZPE= 0.0420509
CONNECTIONS:
o EQ456 o DDC1022
[ TS2965 ] Animation C1 ENERGY= 1139.8 kJ/mol
Energy+ZPE= 1107.3 kJ/mol ZPE= 0.0371623
CONNECTIONS:
o EQ456 o DDC1023
[ TS2966 ] Animation C1 ENERGY= 1025.2 kJ/mol
Energy+ZPE= 1005.9 kJ/mol ZPE= 0.0421783
CONNECTIONS:
o EQ457 o DDC1024
[ TS2967 ] Animation C1 ENERGY= 1050.2 kJ/mol
Energy+ZPE= 1035.2 kJ/mol ZPE= 0.0438244
CONNECTIONS:
o EQ458 o EQ474
[ TS2968 ] Animation C1 ENERGY= 1163.7 kJ/mol
Energy+ZPE= 1133.7 kJ/mol ZPE= 0.0381052
CONNECTIONS:
o EQ458 o EQ474
[ TS2969 ] Animation C1 ENERGY= 1069.7 kJ/mol
Energy+ZPE= 1052.3 kJ/mol ZPE= 0.0429295
CONNECTIONS:
o EQ458 o EQ485
[ TS2970 ] Animation C1 ENERGY= 1244.3 kJ/mol
Energy+ZPE= 1222.2 kJ/mol ZPE= 0.0411150
CONNECTIONS:
o EQ458 o EQ512
[ TS2971 ] Animation C1 ENERGY= 1215.1 kJ/mol
Energy+ZPE= 1196.7 kJ/mol ZPE= 0.0425257
CONNECTIONS:
o EQ458 o EQ520
[ TS2972 ] Animation C1 ENERGY= 1081.7 kJ/mol
Energy+ZPE= 1054.5 kJ/mol ZPE= 0.0392043
CONNECTIONS:
o EQ458 o DDC1025
[ TS2973 ] Animation C1 ENERGY= 1055.7 kJ/mol
Energy+ZPE= 1033.9 kJ/mol ZPE= 0.0412251
CONNECTIONS:
o EQ459 o EQ478
[ TS2974 ] Animation C1 ENERGY= 1072.6 kJ/mol
Energy+ZPE= 1049.6 kJ/mol ZPE= 0.0407846
CONNECTIONS:
o EQ459 o EQ479
[ TS2975 ] Animation C1 ENERGY= 1044.8 kJ/mol
Energy+ZPE= 1021.9 kJ/mol ZPE= 0.0408277
CONNECTIONS:
o EQ460 o EQ460
[ TS2976 ] Animation C1 ENERGY= 1056.7 kJ/mol
Energy+ZPE= 1034.1 kJ/mol ZPE= 0.0409409
CONNECTIONS:
o EQ460 o EQ460
[ TS2977 ] Animation C1 ENERGY= 1061.0 kJ/mol
Energy+ZPE= 1041.2 kJ/mol ZPE= 0.0419999
CONNECTIONS:
o EQ460 o EQ461
[ TS2978 ] Animation C1 ENERGY= 1061.2 kJ/mol
Energy+ZPE= 1039.4 kJ/mol ZPE= 0.0412330
CONNECTIONS:
o EQ460 o EQ461
[ TS2979 ] Animation C1 ENERGY= 1056.7 kJ/mol
Energy+ZPE= 1037.5 kJ/mol ZPE= 0.0422263
CONNECTIONS:
o EQ460 o EQ463
[ TS2980 ] Animation C1 ENERGY= 1044.0 kJ/mol
Energy+ZPE= 1021.3 kJ/mol ZPE= 0.0409111
CONNECTIONS:
o EQ460 o EQ465
[ TS2981 ] Animation C1 ENERGY= 1044.2 kJ/mol
Energy+ZPE= 1021.6 kJ/mol ZPE= 0.0409521
CONNECTIONS:
o EQ460 o EQ465
[ TS2982 ] Animation C1 ENERGY= 1058.6 kJ/mol
Energy+ZPE= 1036.0 kJ/mol ZPE= 0.0409576
CONNECTIONS:
o EQ460 o EQ465
[ TS2983 ] Animation C1 ENERGY= 1058.1 kJ/mol
Energy+ZPE= 1037.1 kJ/mol ZPE= 0.0415331
CONNECTIONS:
o EQ460 o EQ469
[ TS2984 ] Animation C1 ENERGY= 1056.9 kJ/mol
Energy+ZPE= 1035.4 kJ/mol ZPE= 0.0413597
CONNECTIONS:
o EQ460 o EQ475
[ TS2985 ] Animation C1 ENERGY= 1331.4 kJ/mol
Energy+ZPE= 1307.5 kJ/mol ZPE= 0.0404439
CONNECTIONS:
o EQ460 o EQ547
[ TS2986 ] Animation C1 ENERGY= 1278.7 kJ/mol
Energy+ZPE= 1248.9 kJ/mol ZPE= 0.0382141
CONNECTIONS:
o EQ460 o EQ552
[ TS2987 ] Animation C1 ENERGY= 1302.8 kJ/mol
Energy+ZPE= 1271.9 kJ/mol ZPE= 0.0377751
CONNECTIONS:
o EQ460 o EQ555
[ TS2988 ] Animation C1 ENERGY= 1340.3 kJ/mol
Energy+ZPE= 1314.8 kJ/mol ZPE= 0.0398243
CONNECTIONS:
o EQ460 o EQ556
[ TS2989 ] Animation C1 ENERGY= 1392.5 kJ/mol
Energy+ZPE= 1359.9 kJ/mol ZPE= 0.0371145
CONNECTIONS:
o EQ460 o EQ576
[ TS2990 ] Animation C1 ENERGY= 1052.8 kJ/mol
Energy+ZPE= 1031.2 kJ/mol ZPE= 0.0413308
CONNECTIONS:
o EQ460 o DDC1026
[ TS2991 ] Animation C1 ENERGY= 1059.9 kJ/mol
Energy+ZPE= 1037.5 kJ/mol ZPE= 0.0410261
CONNECTIONS:
o EQ460 o DDC1027
[ TS2992 ] Animation C1 ENERGY= 1042.2 kJ/mol
Energy+ZPE= 1020.7 kJ/mol ZPE= 0.0413495
CONNECTIONS:
o EQ461 o EQ463
[ TS2993 ] Animation C1 ENERGY= 1051.1 kJ/mol
Energy+ZPE= 1029.6 kJ/mol ZPE= 0.0413416
CONNECTIONS:
o EQ461 o EQ463
[ TS2994 ] Animation C1 ENERGY= 1061.7 kJ/mol
Energy+ZPE= 1040.8 kJ/mol ZPE= 0.0415703
CONNECTIONS:
o EQ461 o EQ465
[ TS2995 ] Animation C1 ENERGY= 1047.6 kJ/mol
Energy+ZPE= 1024.8 kJ/mol ZPE= 0.0408558
CONNECTIONS:
o EQ461 o EQ469
[ TS2996 ] Animation C1 ENERGY= 1048.3 kJ/mol
Energy+ZPE= 1025.2 kJ/mol ZPE= 0.0407596
CONNECTIONS:
o EQ461 o EQ469
[ TS2997 ] Animation C1 ENERGY= 1056.3 kJ/mol
Energy+ZPE= 1033.9 kJ/mol ZPE= 0.0410008
CONNECTIONS:
o EQ461 o EQ469
[ TS2998 ] Animation C1 ENERGY= 1057.0 kJ/mol
Energy+ZPE= 1034.8 kJ/mol ZPE= 0.0410752
CONNECTIONS:
o EQ461 o EQ469
[ TS2999 ] Animation C1 ENERGY= 1051.2 kJ/mol
Energy+ZPE= 1029.9 kJ/mol ZPE= 0.0414266
CONNECTIONS:
o EQ461 o EQ472
[ TS3000 ] Animation C1 ENERGY= 1280.4 kJ/mol
Energy+ZPE= 1251.4 kJ/mol ZPE= 0.0384878
CONNECTIONS:
o EQ461 o EQ551
[ TS3001 ] Animation C1 ENERGY= 1307.4 kJ/mol
Energy+ZPE= 1277.6 kJ/mol ZPE= 0.0381838
CONNECTIONS:
o EQ461 o EQ556
[ TS3002 ] Animation C1 ENERGY= 1087.7 kJ/mol
Energy+ZPE= 1057.5 kJ/mol ZPE= 0.0380299
CONNECTIONS:
o EQ461 o DDC1028
[ TS3003 ] Animation C1 ENERGY= 1055.3 kJ/mol
Energy+ZPE= 1033.5 kJ/mol ZPE= 0.0412337
CONNECTIONS:
o EQ462 o EQ480
[ TS3004 ] Animation C1 ENERGY= 1271.8 kJ/mol
Energy+ZPE= 1242.6 kJ/mol ZPE= 0.0384146
CONNECTIONS:
o EQ463 o EQ547
[ TS3005 ] Animation C1 ENERGY= 1080.7 kJ/mol
Energy+ZPE= 1054.2 kJ/mol ZPE= 0.0394615
CONNECTIONS:
o EQ463 o DDC1029
[ TS3006 ] Animation Cs ENERGY= 1190.6 kJ/mol
Energy+ZPE= 1161.3 kJ/mol ZPE= 0.0383936
CONNECTIONS:
o EQ464 o EQ464
[ TS3007 ] Animation C1 ENERGY= 1051.5 kJ/mol
Energy+ZPE= 1034.8 kJ/mol ZPE= 0.0432052
CONNECTIONS:
o EQ464 o EQ466
[ TS3008 ] Animation C1 ENERGY= 1052.1 kJ/mol
Energy+ZPE= 1035.6 kJ/mol ZPE= 0.0432685
CONNECTIONS:
o EQ464 o EQ468
[ TS3009 ] Animation C1 ENERGY= 1187.4 kJ/mol
Energy+ZPE= 1169.8 kJ/mol ZPE= 0.0428328
CONNECTIONS:
o EQ464 o EQ512
[ TS3010 ] Animation C1 ENERGY= 1272.2 kJ/mol
Energy+ZPE= 1249.1 kJ/mol ZPE= 0.0407442
CONNECTIONS:
o EQ464 o EQ533
[ TS3011 ] Animation C2 ENERGY= 1042.7 kJ/mol
Energy+ZPE= 1020.5 kJ/mol ZPE= 0.0411002
CONNECTIONS:
o EQ465 o EQ465
[ TS3012 ] Animation C1 ENERGY= 1056.2 kJ/mol
Energy+ZPE= 1034.7 kJ/mol ZPE= 0.0413513
CONNECTIONS:
o EQ465 o EQ472
[ TS3013 ] Animation C1 ENERGY= 1063.4 kJ/mol
Energy+ZPE= 1047.9 kJ/mol ZPE= 0.0436393
CONNECTIONS:
o EQ466 o EQ468
[ TS3014 ] Animation Cs ENERGY= 1083.0 kJ/mol
Energy+ZPE= 1060.4 kJ/mol ZPE= 0.0409492
CONNECTIONS:
o EQ467 o EQ467
[ TS3015 ] Animation C1 ENERGY= 1102.6 kJ/mol
Energy+ZPE= 1079.2 kJ/mol ZPE= 0.0406305
CONNECTIONS:
o EQ467 o EQ471
[ TS3016 ] Animation C1 ENERGY= 1056.4 kJ/mol
Energy+ZPE= 1033.6 kJ/mol ZPE= 0.0408537
CONNECTIONS:
o EQ467 o EQ473
[ TS3017 ] Animation C1 ENERGY= 1059.7 kJ/mol
Energy+ZPE= 1028.2 kJ/mol ZPE= 0.0375475
CONNECTIONS:
o EQ467 o EQ473
[ TS3018 ] Animation C1 ENERGY= 1063.0 kJ/mol
Energy+ZPE= 1039.8 kJ/mol ZPE= 0.0407077
CONNECTIONS:
o EQ467 o EQ482
[ TS3019 ] Animation C1 ENERGY= 1088.6 kJ/mol
Energy+ZPE= 1064.8 kJ/mol ZPE= 0.0404773
CONNECTIONS:
o EQ467 o EQ486
[ TS3020 ] Animation C1 ENERGY= 1080.1 kJ/mol
Energy+ZPE= 1057.5 kJ/mol ZPE= 0.0409533
CONNECTIONS:
o EQ467 o EQ501
[ TS3021 ] Animation C1 ENERGY= 1100.3 kJ/mol
Energy+ZPE= 1077.1 kJ/mol ZPE= 0.0406994
CONNECTIONS:
o EQ467 o EQ501
[ TS3022 ] Animation C1 ENERGY= 1086.2 kJ/mol
Energy+ZPE= 1061.9 kJ/mol ZPE= 0.0403063
CONNECTIONS:
o EQ467 o EQ505
[ TS3023 ] Animation Cs ENERGY= 1112.3 kJ/mol
Energy+ZPE= 1088.5 kJ/mol ZPE= 0.0404687
CONNECTIONS:
o EQ467 o EQ505
[ TS3024 ] Animation C1 ENERGY= 1076.0 kJ/mol
Energy+ZPE= 1051.8 kJ/mol ZPE= 0.0403219
CONNECTIONS:
o EQ467 o DDC1030
[ TS3025 ] Animation C1 ENERGY= 1196.2 kJ/mol
Energy+ZPE= 1178.3 kJ/mol ZPE= 0.0427272
CONNECTIONS:
o EQ468 o EQ512
[ TS3026 ] Animation Cs ENERGY= 1046.9 kJ/mol
Energy+ZPE= 1024.3 kJ/mol ZPE= 0.0409382
CONNECTIONS:
o EQ469 o EQ469
[ TS3027 ] Animation C1 ENERGY= 1052.9 kJ/mol
Energy+ZPE= 1031.2 kJ/mol ZPE= 0.0412908
CONNECTIONS:
o EQ469 o EQ475
[ TS3028 ] Animation C1 ENERGY= 1050.8 kJ/mol
Energy+ZPE= 1027.9 kJ/mol ZPE= 0.0408112
CONNECTIONS:
o EQ470 o EQ471
[ TS3029 ] Animation C1 ENERGY= 1051.9 kJ/mol
Energy+ZPE= 1028.2 kJ/mol ZPE= 0.0405071
CONNECTIONS:
o EQ470 o EQ471
[ TS3030 ] Animation C1 ENERGY= 1054.3 kJ/mol
Energy+ZPE= 1030.5 kJ/mol ZPE= 0.0404633
CONNECTIONS:
o EQ470 o EQ471
[ TS3031 ] Animation C1 ENERGY= 1144.8 kJ/mol
Energy+ZPE= 1118.1 kJ/mol ZPE= 0.0393952
CONNECTIONS:
o EQ470 o EQ501
[ TS3032 ] Animation C1 ENERGY= 1053.9 kJ/mol
Energy+ZPE= 1032.6 kJ/mol ZPE= 0.0414423
CONNECTIONS:
o EQ472 o EQ475
[ TS3033 ] Animation C1 ENERGY= 1051.2 kJ/mol
Energy+ZPE= 1030.1 kJ/mol ZPE= 0.0415219
CONNECTIONS:
o EQ472 o EQ476
[ TS3034 ] Animation C1 ENERGY= 1071.6 kJ/mol
Energy+ZPE= 1050.0 kJ/mol ZPE= 0.0413201
CONNECTIONS:
o EQ472 o EQ476
[ TS3035 ] Animation C1 ENERGY= 1076.1 kJ/mol
Energy+ZPE= 1058.1 kJ/mol ZPE= 0.0426973
CONNECTIONS:
o EQ472 o EQ493
[ TS3036 ] Animation C1 ENERGY= 1323.8 kJ/mol
Energy+ZPE= 1298.5 kJ/mol ZPE= 0.0399218
CONNECTIONS:
o EQ472 o EQ516
[ TS3037 ] Animation Cs ENERGY= 1074.9 kJ/mol
Energy+ZPE= 1053.1 kJ/mol ZPE= 0.0412266
CONNECTIONS:
o EQ473 o EQ473
[ TS3038 ] Animation C1 ENERGY= 1099.3 kJ/mol
Energy+ZPE= 1076.5 kJ/mol ZPE= 0.0408534
CONNECTIONS:
o EQ473 o EQ473
[ TS3039 ] Animation C1 ENERGY= 1101.5 kJ/mol
Energy+ZPE= 1074.4 kJ/mol ZPE= 0.0392332
CONNECTIONS:
o EQ473 o EQ482
[ TS3040 ] Animation C1 ENERGY= 1085.1 kJ/mol
Energy+ZPE= 1061.7 kJ/mol ZPE= 0.0406424
CONNECTIONS:
o EQ473 o EQ500
[ TS3041 ] Animation C1 ENERGY= 1157.4 kJ/mol
Energy+ZPE= 1130.3 kJ/mol ZPE= 0.0392354
CONNECTIONS:
o EQ473 o EQ518
[ TS3042 ] Animation C1 ENERGY= 1074.8 kJ/mol
Energy+ZPE= 1056.9 kJ/mol ZPE= 0.0427460
CONNECTIONS:
o EQ474 o EQ485
[ TS3043 ] Animation C1 ENERGY= 1212.7 kJ/mol
Energy+ZPE= 1194.2 kJ/mol ZPE= 0.0425079
CONNECTIONS:
o EQ474 o EQ520
[ TS3044 ] Animation C1 ENERGY= 1110.3 kJ/mol
Energy+ZPE= 1083.5 kJ/mol ZPE= 0.0393367
CONNECTIONS:
o EQ474 o DDC1031
[ TS3045 ] Animation C1 ENERGY= 1088.3 kJ/mol
Energy+ZPE= 1071.0 kJ/mol ZPE= 0.0429531
CONNECTIONS:
o EQ475 o EQ476
[ TS3046 ] Animation C1 ENERGY= 1053.3 kJ/mol
Energy+ZPE= 1032.1 kJ/mol ZPE= 0.0414828
CONNECTIONS:
o EQ475 o EQ480
[ TS3047 ] Animation C1 ENERGY= 1067.4 kJ/mol
Energy+ZPE= 1046.0 kJ/mol ZPE= 0.0414033
CONNECTIONS:
o EQ475 o EQ480
[ TS3048 ] Animation C1 ENERGY= 1076.8 kJ/mol
Energy+ZPE= 1058.8 kJ/mol ZPE= 0.0426884
CONNECTIONS:
o EQ475 o EQ496
[ TS3049 ] Animation C1 ENERGY= 1079.6 kJ/mol
Energy+ZPE= 1061.0 kJ/mol ZPE= 0.0424705
CONNECTIONS:
o EQ476 o EQ496
[ TS3050 ] Animation C1 ENERGY= 1153.4 kJ/mol
Energy+ZPE= 1130.0 kJ/mol ZPE= 0.0406300
CONNECTIONS:
o EQ476 o EQ510
[ TS3051 ] Animation C1 ENERGY= 1319.5 kJ/mol
Energy+ZPE= 1293.0 kJ/mol ZPE= 0.0394650
CONNECTIONS:
o EQ476 o EQ559
[ TS3052 ] Animation C1 ENERGY= 1069.1 kJ/mol
Energy+ZPE= 1051.0 kJ/mol ZPE= 0.0426440
CONNECTIONS:
o EQ477 o EQ484
[ TS3053 ] Animation C1 ENERGY= 1203.1 kJ/mol
Energy+ZPE= 1182.3 kJ/mol ZPE= 0.0416305
CONNECTIONS:
o EQ477 o EQ519
[ TS3054 ] Animation C1 ENERGY= 1209.5 kJ/mol
Energy+ZPE= 1188.8 kJ/mol ZPE= 0.0416727
CONNECTIONS:
o EQ477 o EQ519
[ TS3055 ] Animation C1 ENERGY= 1272.2 kJ/mol
Energy+ZPE= 1247.4 kJ/mol ZPE= 0.0400976
CONNECTIONS:
o EQ477 o EQ525
[ TS3056 ] Animation C1 ENERGY= 1056.7 kJ/mol
Energy+ZPE= 1035.7 kJ/mol ZPE= 0.0415520
CONNECTIONS:
o EQ477 o DDC1032
[ TS3057 ] Animation C1 ENERGY= 1066.4 kJ/mol
Energy+ZPE= 1045.0 kJ/mol ZPE= 0.0414078
CONNECTIONS:
o EQ477 o DDC1033
[ TS3058 ] Animation C1 ENERGY= 1080.9 kJ/mol
Energy+ZPE= 1059.8 kJ/mol ZPE= 0.0415279
CONNECTIONS:
o EQ477 o DDC1034
[ TS3059 ] Animation C1 ENERGY= 1139.4 kJ/mol
Energy+ZPE= 1109.9 kJ/mol ZPE= 0.0383117
CONNECTIONS:
o EQ477 o DDC1035
[ TS3060 ] Animation C1 ENERGY= 1053.5 kJ/mol
Energy+ZPE= 1031.3 kJ/mol ZPE= 0.0411105
CONNECTIONS:
o EQ478 o EQ479
[ TS3061 ] Animation C1 ENERGY= 1141.9 kJ/mol
Energy+ZPE= 1115.5 kJ/mol ZPE= 0.0394917
CONNECTIONS:
o EQ478 o EQ486
[ TS3062 ] Animation C1 ENERGY= 1076.3 kJ/mol
Energy+ZPE= 1058.1 kJ/mol ZPE= 0.0426049
CONNECTIONS:
o EQ480 o EQ493
[ TS3063 ] Animation C1 ENERGY= 1151.7 kJ/mol
Energy+ZPE= 1128.4 kJ/mol ZPE= 0.0406910
CONNECTIONS:
o EQ480 o EQ511
[ TS3064 ] Animation C1 ENERGY= 1217.9 kJ/mol
Energy+ZPE= 1195.6 kJ/mol ZPE= 0.0410509
CONNECTIONS:
o EQ480 o EQ543
[ TS3065 ] Animation C1 ENERGY= 1368.1 kJ/mol
Energy+ZPE= 1343.6 kJ/mol ZPE= 0.0402180
CONNECTIONS:
o EQ480 o EQ547
[ TS3066 ] Animation C1 ENERGY= 1325.3 kJ/mol
Energy+ZPE= 1298.7 kJ/mol ZPE= 0.0394229
CONNECTIONS:
o EQ480 o EQ563
[ TS3067 ] Animation C1 ENERGY= 1058.7 kJ/mol
Energy+ZPE= 1028.0 kJ/mol ZPE= 0.0378628
CONNECTIONS:
o EQ481 o DDC1036
[ TS3068 ] Animation Cs ENERGY= 1089.6 kJ/mol
Energy+ZPE= 1054.7 kJ/mol ZPE= 0.0362541
CONNECTIONS:
o EQ482 o EQ482
[ TS3069 ] Animation C1 ENERGY= 1080.2 kJ/mol
Energy+ZPE= 1056.1 kJ/mol ZPE= 0.0403793
CONNECTIONS:
o EQ482 o EQ486
[ TS3070 ] Animation C1 ENERGY= 1091.7 kJ/mol
Energy+ZPE= 1067.1 kJ/mol ZPE= 0.0401602
CONNECTIONS:
o EQ482 o EQ501
[ TS3071 ] Animation C1 ENERGY= 1087.6 kJ/mol
Energy+ZPE= 1062.9 kJ/mol ZPE= 0.0401231
CONNECTIONS:
o EQ482 o EQ505
[ TS3072 ] Animation C1 ENERGY= 1074.3 kJ/mol
Energy+ZPE= 1049.3 kJ/mol ZPE= 0.0400427
CONNECTIONS:
o EQ482 o DDC1037
[ TS3073 ] Animation C1 ENERGY= 1277.9 kJ/mol
Energy+ZPE= 1247.7 kJ/mol ZPE= 0.0380414
CONNECTIONS:
o EQ482 o DDC1038
[ TS3074 ] Animation Cs ENERGY= 1068.6 kJ/mol
Energy+ZPE= 1045.2 kJ/mol ZPE= 0.0406218
CONNECTIONS:
o EQ483 o EQ483
[ TS3075 ] Animation Cs ENERGY= 1081.6 kJ/mol
Energy+ZPE= 1059.3 kJ/mol ZPE= 0.0410404
CONNECTIONS:
o EQ483 o EQ483
[ TS3076 ] Animation C1 ENERGY= 1074.7 kJ/mol
Energy+ZPE= 1050.2 kJ/mol ZPE= 0.0402000
CONNECTIONS:
o EQ483 o EQ495
[ TS3077 ] Animation C1 ENERGY= 1076.7 kJ/mol
Energy+ZPE= 1052.1 kJ/mol ZPE= 0.0401734
CONNECTIONS:
o EQ483 o EQ495
[ TS3078 ] Animation C1 ENERGY= 1096.8 kJ/mol
Energy+ZPE= 1073.5 kJ/mol ZPE= 0.0406821
CONNECTIONS:
o EQ483 o DDC1039
[ TS3079 ] Animation C1 ENERGY= 1120.3 kJ/mol
Energy+ZPE= 1089.0 kJ/mol ZPE= 0.0376273
CONNECTIONS:
o EQ483 o DDC1040
[ TS3080 ] Animation C1 ENERGY= 1120.8 kJ/mol
Energy+ZPE= 1085.3 kJ/mol ZPE= 0.0360288
CONNECTIONS:
o EQ483 o DDC1041
[ TS3081 ] Animation C1 ENERGY= 1125.0 kJ/mol
Energy+ZPE= 1096.7 kJ/mol ZPE= 0.0387822
CONNECTIONS:
o EQ483 o DDC1042
[ TS3082 ] Animation C1 ENERGY= 1125.8 kJ/mol
Energy+ZPE= 1094.0 kJ/mol ZPE= 0.0374491
CONNECTIONS:
o EQ483 o DDC1043
[ TS3083 ] Animation Cs ENERGY= 1126.8 kJ/mol
Energy+ZPE= 1086.4 kJ/mol ZPE= 0.0341537
CONNECTIONS:
o EQ483 o DDC1044
[ TS3084 ] Animation C1 ENERGY= 1140.0 kJ/mol
Energy+ZPE= 1109.5 kJ/mol ZPE= 0.0379453
CONNECTIONS:
o EQ483 o DDC1045
[ TS3085 ] Animation C1 ENERGY= 1162.9 kJ/mol
Energy+ZPE= 1136.4 kJ/mol ZPE= 0.0394388
CONNECTIONS:
o EQ483 o DDC1046
[ TS3086 ] Animation C1 ENERGY= 1222.3 kJ/mol
Energy+ZPE= 1201.6 kJ/mol ZPE= 0.0416469
CONNECTIONS:
o EQ484 o EQ522
[ TS3087 ] Animation C1 ENERGY= 1290.3 kJ/mol
Energy+ZPE= 1266.0 kJ/mol ZPE= 0.0402866
CONNECTIONS:
o EQ484 o EQ541
[ TS3088 ] Animation C1 ENERGY= 1064.9 kJ/mol
Energy+ZPE= 1043.6 kJ/mol ZPE= 0.0414417
CONNECTIONS:
o EQ484 o DDC1047
[ TS3089 ] Animation C1 ENERGY= 1072.6 kJ/mol
Energy+ZPE= 1050.7 kJ/mol ZPE= 0.0412080
CONNECTIONS:
o EQ484 o DDC1048
[ TS3090 ] Animation C1 ENERGY= 1242.5 kJ/mol
Energy+ZPE= 1221.6 kJ/mol ZPE= 0.0415697
CONNECTIONS:
o EQ485 o EQ533
[ TS3091 ] Animation C1 ENERGY= 1181.5 kJ/mol
Energy+ZPE= 1142.6 kJ/mol ZPE= 0.0347489
CONNECTIONS:
o EQ485 o DDC1049
[ TS3092 ] Animation Cs ENERGY= 1066.4 kJ/mol
Energy+ZPE= 1047.1 kJ/mol ZPE= 0.0421777
CONNECTIONS:
o EQ486 o EQ486
[ TS3093 ] Animation C1 ENERGY= 1087.7 kJ/mol
Energy+ZPE= 1065.6 kJ/mol ZPE= 0.0411293
CONNECTIONS:
o EQ486 o EQ486
[ TS3094 ] Animation C1 ENERGY= 1087.6 kJ/mol
Energy+ZPE= 1064.0 kJ/mol ZPE= 0.0405760
CONNECTIONS:
o EQ486 o EQ500
[ TS3095 ] Animation C1 ENERGY= 1088.0 kJ/mol
Energy+ZPE= 1065.7 kJ/mol ZPE= 0.0410685
CONNECTIONS:
o EQ486 o EQ505
[ TS3096 ] Animation C1 ENERGY= 1089.5 kJ/mol
Energy+ZPE= 1067.0 kJ/mol ZPE= 0.0409787
CONNECTIONS:
o EQ486 o EQ506
[ TS3097 ] Animation C1 ENERGY= 1090.1 kJ/mol
Energy+ZPE= 1067.5 kJ/mol ZPE= 0.0409393
CONNECTIONS:
o EQ486 o EQ506
[ TS3098 ] Animation C1 ENERGY= 1096.7 kJ/mol
Energy+ZPE= 1074.9 kJ/mol ZPE= 0.0412297
CONNECTIONS:
o EQ486 o EQ507
[ TS3099 ] Animation C1 ENERGY= 1096.1 kJ/mol
Energy+ZPE= 1068.1 kJ/mol ZPE= 0.0388814
CONNECTIONS:
o EQ486 o DDC1050
[ TS3100 ] Animation C1 ENERGY= 1228.9 kJ/mol
Energy+ZPE= 1201.7 kJ/mol ZPE= 0.0391754
CONNECTIONS:
o EQ486 o DDC1051
[ TS3101 ] Animation C1 ENERGY= 1372.3 kJ/mol
Energy+ZPE= 1344.6 kJ/mol ZPE= 0.0390067
CONNECTIONS:
o EQ486 o DDC1052
[ TS3102 ] Animation C1 ENERGY= 1067.3 kJ/mol
Energy+ZPE= 1039.6 kJ/mol ZPE= 0.0390047
CONNECTIONS:
o EQ487 o DDC1053
[ TS3103 ] Animation C1 ENERGY= 1069.5 kJ/mol
Energy+ZPE= 1034.9 kJ/mol ZPE= 0.0363569
CONNECTIONS:
o EQ487 o DDC1054
[ TS3104 ] Animation C1 ENERGY= 1075.4 kJ/mol
Energy+ZPE= 1048.4 kJ/mol ZPE= 0.0392462
CONNECTIONS:
o EQ487 o DDC1055
[ TS3105 ] Animation C1 ENERGY= 1075.9 kJ/mol
Energy+ZPE= 1048.6 kJ/mol ZPE= 0.0391309
CONNECTIONS:
o EQ487 o DDC1056
[ TS3106 ] Animation C1 ENERGY= 1066.9 kJ/mol
Energy+ZPE= 1039.4 kJ/mol ZPE= 0.0390722
CONNECTIONS:
o EQ488 o DDC1057
[ TS3107 ] Animation C1 ENERGY= 1069.7 kJ/mol
Energy+ZPE= 1034.9 kJ/mol ZPE= 0.0363084
CONNECTIONS:
o EQ488 o DDC1058
[ TS3108 ] Animation C1 ENERGY= 1074.8 kJ/mol
Energy+ZPE= 1045.1 kJ/mol ZPE= 0.0382210
CONNECTIONS:
o EQ488 o DDC1059
[ TS3109 ] Animation C1 ENERGY= 1075.8 kJ/mol
Energy+ZPE= 1048.4 kJ/mol ZPE= 0.0391289
CONNECTIONS:
o EQ488 o DDC1060
[ TS3110 ] Animation Cs ENERGY= 1129.5 kJ/mol
Energy+ZPE= 1099.6 kJ/mol ZPE= 0.0381648
CONNECTIONS:
o EQ489 o EQ489
[ TS3111 ] Animation C1 ENERGY= 1074.2 kJ/mol
Energy+ZPE= 1051.4 kJ/mol ZPE= 0.0408749
CONNECTIONS:
o EQ489 o EQ491
[ TS3112 ] Animation C1 ENERGY= 1075.3 kJ/mol
Energy+ZPE= 1052.6 kJ/mol ZPE= 0.0409159
CONNECTIONS:
o EQ489 o EQ491
[ TS3113 ] Animation C1 ENERGY= 1128.8 kJ/mol
Energy+ZPE= 1106.4 kJ/mol ZPE= 0.0410234
CONNECTIONS:
o EQ489 o EQ491
[ TS3114 ] Animation C1 ENERGY= 1126.0 kJ/mol
Energy+ZPE= 1100.7 kJ/mol ZPE= 0.0399215
CONNECTIONS:
o EQ489 o DDC1061
[ TS3115 ] Animation C1 ENERGY= 1166.2 kJ/mol
Energy+ZPE= 1141.5 kJ/mol ZPE= 0.0401523
CONNECTIONS:
o EQ489 o DDC1062
[ TS3116 ] Animation C1 ENERGY= 1187.7 kJ/mol
Energy+ZPE= 1164.8 kJ/mol ZPE= 0.0408328
CONNECTIONS:
o EQ489 o DDC1063
[ TS3117 ] Animation C1 ENERGY= 1195.9 kJ/mol
Energy+ZPE= 1166.7 kJ/mol ZPE= 0.0384192
CONNECTIONS:
o EQ489 o DDC1064
[ TS3118 ] Animation Cs ENERGY= 1168.4 kJ/mol
Energy+ZPE= 1144.5 kJ/mol ZPE= 0.0404512
CONNECTIONS:
o EQ490 o EQ490
[ TS3119 ] Animation C1 ENERGY= 1239.9 kJ/mol
Energy+ZPE= 1216.8 kJ/mol ZPE= 0.0407467
CONNECTIONS:
o EQ490 o EQ526
[ TS3120 ] Animation C1 ENERGY= 1070.6 kJ/mol
Energy+ZPE= 1049.4 kJ/mol ZPE= 0.0414586
CONNECTIONS:
o EQ490 o DDC1065
[ TS3121 ] Animation C1 ENERGY= 1093.6 kJ/mol
Energy+ZPE= 1070.4 kJ/mol ZPE= 0.0407007
CONNECTIONS:
o EQ491 o EQ491
[ TS3122 ] Animation Cs ENERGY= 1130.3 kJ/mol
Energy+ZPE= 1100.5 kJ/mol ZPE= 0.0382062
CONNECTIONS:
o EQ491 o EQ491
[ TS3123 ] Animation C1 ENERGY= 1152.0 kJ/mol
Energy+ZPE= 1129.3 kJ/mol ZPE= 0.0408883
CONNECTIONS:
o EQ492 o EQ498
[ TS3124 ] Animation C1 ENERGY= 1103.2 kJ/mol
Energy+ZPE= 1083.0 kJ/mol ZPE= 0.0418711
CONNECTIONS:
o EQ492 o EQ499
[ TS3125 ] Animation C1 ENERGY= 1093.3 kJ/mol
Energy+ZPE= 1072.6 kJ/mol ZPE= 0.0416702
CONNECTIONS:
o EQ492 o EQ503
[ TS3126 ] Animation C1 ENERGY= 1143.4 kJ/mol
Energy+ZPE= 1114.8 kJ/mol ZPE= 0.0386474
CONNECTIONS:
o EQ492 o EQ504
[ TS3127 ] Animation C1 ENERGY= 1074.6 kJ/mol
Energy+ZPE= 1053.8 kJ/mol ZPE= 0.0416079
CONNECTIONS:
o EQ492 o DDC1066
[ TS3128 ] Animation C1 ENERGY= 1124.8 kJ/mol
Energy+ZPE= 1095.9 kJ/mol ZPE= 0.0385558
CONNECTIONS:
o EQ492 o DDC1067
[ TS3129 ] Animation C1 ENERGY= 1192.4 kJ/mol
Energy+ZPE= 1168.3 kJ/mol ZPE= 0.0403860
CONNECTIONS:
o EQ492 o DDC1068
[ TS3130 ] Animation C1 ENERGY= 1205.5 kJ/mol
Energy+ZPE= 1177.9 kJ/mol ZPE= 0.0390423
CONNECTIONS:
o EQ492 o DDC1069
[ TS3131 ] Animation Cs ENERGY= 1086.9 kJ/mol
Energy+ZPE= 1069.9 kJ/mol ZPE= 0.0430805
CONNECTIONS:
o EQ494 o EQ494
[ TS3132 ] Animation C1 ENERGY= 1271.6 kJ/mol
Energy+ZPE= 1233.8 kJ/mol ZPE= 0.0351325
CONNECTIONS:
o EQ494 o DDC1070
[ TS3133 ] Animation Cs ENERGY= 1076.1 kJ/mol
Energy+ZPE= 1053.1 kJ/mol ZPE= 0.0407894
CONNECTIONS:
o EQ495 o EQ495
[ TS3134 ] Animation C1 ENERGY= 1088.4 kJ/mol
Energy+ZPE= 1066.3 kJ/mol ZPE= 0.0411383
CONNECTIONS:
o EQ495 o EQ495
[ TS3135 ] Animation C1 ENERGY= 1211.4 kJ/mol
Energy+ZPE= 1182.7 kJ/mol ZPE= 0.0386047
CONNECTIONS:
o EQ495 o EQ502
[ TS3136 ] Animation C1 ENERGY= 1093.5 kJ/mol
Energy+ZPE= 1073.2 kJ/mol ZPE= 0.0417970
CONNECTIONS:
o EQ497 o EQ498
[ TS3137 ] Animation C1 ENERGY= 1147.4 kJ/mol
Energy+ZPE= 1118.8 kJ/mol ZPE= 0.0386709
CONNECTIONS:
o EQ497 o EQ499
[ TS3138 ] Animation C1 ENERGY= 1089.3 kJ/mol
Energy+ZPE= 1068.6 kJ/mol ZPE= 0.0416574
CONNECTIONS:
o EQ497 o EQ504
[ TS3139 ] Animation C1 ENERGY= 1088.9 kJ/mol
Energy+ZPE= 1068.1 kJ/mol ZPE= 0.0416410
CONNECTIONS:
o EQ497 o DDC1071
[ TS3140 ] Animation C1 ENERGY= 1131.2 kJ/mol
Energy+ZPE= 1106.4 kJ/mol ZPE= 0.0400846
CONNECTIONS:
o EQ497 o DDC1072
[ TS3141 ] Animation C1 ENERGY= 1138.9 kJ/mol
Energy+ZPE= 1113.3 kJ/mol ZPE= 0.0397957
CONNECTIONS:
o EQ497 o DDC1073
[ TS3142 ] Animation C1 ENERGY= 1179.2 kJ/mol
Energy+ZPE= 1154.7 kJ/mol ZPE= 0.0401984
CONNECTIONS:
o EQ497 o DDC1074
[ TS3143 ] Animation C1 ENERGY= 1217.4 kJ/mol
Energy+ZPE= 1189.6 kJ/mol ZPE= 0.0389716
CONNECTIONS:
o EQ497 o DDC1075
[ TS3144 ] Animation C1 ENERGY= 1112.1 kJ/mol
Energy+ZPE= 1090.0 kJ/mol ZPE= 0.0411237
CONNECTIONS:
o EQ498 o EQ498
[ TS3145 ] Animation C1 ENERGY= 1145.4 kJ/mol
Energy+ZPE= 1116.7 kJ/mol ZPE= 0.0386256
CONNECTIONS:
o EQ498 o EQ503
[ TS3146 ] Animation C1 ENERGY= 1209.8 kJ/mol
Energy+ZPE= 1174.2 kJ/mol ZPE= 0.0360002
CONNECTIONS:
o EQ498 o EQ515
[ TS3147 ] Animation C1 ENERGY= 1143.4 kJ/mol
Energy+ZPE= 1114.8 kJ/mol ZPE= 0.0386479
CONNECTIONS:
o EQ498 o DDC1076
[ TS3148 ] Animation C1 ENERGY= 1194.1 kJ/mol
Energy+ZPE= 1166.2 kJ/mol ZPE= 0.0389098
CONNECTIONS:
o EQ498 o DDC1077
[ TS3149 ] Animation C1 ENERGY= 1234.3 kJ/mol
Energy+ZPE= 1204.5 kJ/mol ZPE= 0.0381943
CONNECTIONS:
o EQ498 o DDC1078
[ TS3150 ] Animation C1 ENERGY= 1086.4 kJ/mol
Energy+ZPE= 1064.8 kJ/mol ZPE= 0.0413341
CONNECTIONS:
o EQ499 o EQ502
[ TS3151 ] Animation C1 ENERGY= 1152.0 kJ/mol
Energy+ZPE= 1124.9 kJ/mol ZPE= 0.0392236
CONNECTIONS:
o EQ499 o DDC1079
[ TS3152 ] Animation C1 ENERGY= 1079.7 kJ/mol
Energy+ZPE= 1056.8 kJ/mol ZPE= 0.0408252
CONNECTIONS:
o EQ500 o EQ500
[ TS3153 ] Animation C1 ENERGY= 1093.9 kJ/mol
Energy+ZPE= 1066.4 kJ/mol ZPE= 0.0390574
CONNECTIONS:
o EQ500 o DDC1080
[ TS3154 ] Animation C1 ENERGY= 1239.4 kJ/mol
Energy+ZPE= 1210.8 kJ/mol ZPE= 0.0386426
CONNECTIONS:
o EQ500 o DDC1081
[ TS3155 ] Animation C1 ENERGY= 1114.3 kJ/mol
Energy+ZPE= 1091.5 kJ/mol ZPE= 0.0408688
CONNECTIONS:
o EQ501 o EQ505
[ TS3156 ] Animation C1 ENERGY= 1082.9 kJ/mol
Energy+ZPE= 1062.4 kJ/mol ZPE= 0.0417352
CONNECTIONS:
o EQ502 o EQ503
[ TS3157 ] Animation C1 ENERGY= 1109.1 kJ/mol
Energy+ZPE= 1087.1 kJ/mol ZPE= 0.0411513
CONNECTIONS:
o EQ503 o EQ503
[ TS3158 ] Animation C1 ENERGY= 1147.0 kJ/mol
Energy+ZPE= 1121.7 kJ/mol ZPE= 0.0399018
CONNECTIONS:
o EQ503 o DDC1082
[ TS3159 ] Animation C1 ENERGY= 1155.1 kJ/mol
Energy+ZPE= 1129.4 kJ/mol ZPE= 0.0397682
CONNECTIONS:
o EQ503 o DDC1083
[ TS3160 ] Animation C1 ENERGY= 1214.2 kJ/mol
Energy+ZPE= 1178.4 kJ/mol ZPE= 0.0359051
CONNECTIONS:
o EQ503 o DDC1084
[ TS3161 ] Animation C1 ENERGY= 1156.3 kJ/mol
Energy+ZPE= 1130.3 kJ/mol ZPE= 0.0396476
CONNECTIONS:
o EQ504 o DDC1085
[ TS3162 ] Animation C1 ENERGY= 1157.2 kJ/mol
Energy+ZPE= 1129.6 kJ/mol ZPE= 0.0390424
CONNECTIONS:
o EQ504 o DDC1086
[ TS3163 ] Animation C1 ENERGY= 1157.8 kJ/mol
Energy+ZPE= 1130.6 kJ/mol ZPE= 0.0392034
CONNECTIONS:
o EQ505 o EQ518
[ TS3164 ] Animation C1 ENERGY= 1098.4 kJ/mol
Energy+ZPE= 1070.7 kJ/mol ZPE= 0.0389820
CONNECTIONS:
o EQ505 o DDC1087
[ TS3165 ] Animation Cs ENERGY= 1087.2 kJ/mol
Energy+ZPE= 1065.2 kJ/mol ZPE= 0.0411720
CONNECTIONS:
o EQ506 o EQ506
[ TS3166 ] Animation C1 ENERGY= 1238.0 kJ/mol
Energy+ZPE= 1211.4 kJ/mol ZPE= 0.0394078
CONNECTIONS:
o EQ506 o DDC1088
[ TS3167 ] Animation Cs ENERGY= 1102.6 kJ/mol
Energy+ZPE= 1079.7 kJ/mol ZPE= 0.0408222
CONNECTIONS:
o EQ507 o EQ507
[ TS3168 ] Animation Cs ENERGY= 1163.7 kJ/mol
Energy+ZPE= 1146.6 kJ/mol ZPE= 0.0430483
CONNECTIONS:
o EQ508 o EQ508
[ TS3169 ] Animation C1 ENERGY= 1137.3 kJ/mol
Energy+ZPE= 1116.2 kJ/mol ZPE= 0.0415157
CONNECTIONS:
o EQ508 o DDC1089
[ TS3170 ] Animation C1 ENERGY= 1146.8 kJ/mol
Energy+ZPE= 1126.4 kJ/mol ZPE= 0.0417833
CONNECTIONS:
o EQ508 o DDC1090
[ TS3171 ] Animation C1 ENERGY= 1174.2 kJ/mol
Energy+ZPE= 1150.8 kJ/mol ZPE= 0.0406374
CONNECTIONS:
o EQ508 o DDC1091
[ TS3172 ] Animation C1 ENERGY= 1374.7 kJ/mol
Energy+ZPE= 1343.0 kJ/mol ZPE= 0.0374651
CONNECTIONS:
o EQ508 o DDC1092
[ TS3173 ] Animation C1 ENERGY= 1286.7 kJ/mol
Energy+ZPE= 1266.3 kJ/mol ZPE= 0.0417654
CONNECTIONS:
o EQ509 o EQ546
[ TS3174 ] Animation C1 ENERGY= 1145.6 kJ/mol
Energy+ZPE= 1121.2 kJ/mol ZPE= 0.0402727
CONNECTIONS:
o EQ510 o EQ511
[ TS3175 ] Animation C1 ENERGY= 1156.8 kJ/mol
Energy+ZPE= 1137.0 kJ/mol ZPE= 0.0419950
CONNECTIONS:
o EQ510 o EQ511
[ TS3176 ] Animation C1 ENERGY= 1157.2 kJ/mol
Energy+ZPE= 1137.1 kJ/mol ZPE= 0.0418829
CONNECTIONS:
o EQ510 o EQ511
[ TS3177 ] Animation C1 ENERGY= 1153.3 kJ/mol
Energy+ZPE= 1134.3 kJ/mol ZPE= 0.0423013
CONNECTIONS:
o EQ510 o EQ516
[ TS3178 ] Animation C1 ENERGY= 1344.8 kJ/mol
Energy+ZPE= 1314.3 kJ/mol ZPE= 0.0379181
CONNECTIONS:
o EQ510 o EQ535
[ TS3179 ] Animation C1 ENERGY= 1398.1 kJ/mol
Energy+ZPE= 1373.0 kJ/mol ZPE= 0.0399682
CONNECTIONS:
o EQ510 o EQ552
[ TS3180 ] Animation C1 ENERGY= 1308.2 kJ/mol
Energy+ZPE= 1282.4 kJ/mol ZPE= 0.0397077
CONNECTIONS:
o EQ510 o EQ556
[ TS3181 ] Animation C1 ENERGY= 1386.6 kJ/mol
Energy+ZPE= 1360.0 kJ/mol ZPE= 0.0394282
CONNECTIONS:
o EQ510 o EQ556
[ TS3182 ] Animation C1 ENERGY= 1426.0 kJ/mol
Energy+ZPE= 1399.2 kJ/mol ZPE= 0.0393507
CONNECTIONS:
o EQ510 o EQ578
[ TS3183 ] Animation C1 ENERGY= 1451.1 kJ/mol
Energy+ZPE= 1431.5 kJ/mol ZPE= 0.0420908
CONNECTIONS:
o EQ510 o EQ578
[ TS3184 ] Animation C1 ENERGY= 1441.5 kJ/mol
Energy+ZPE= 1421.3 kJ/mol ZPE= 0.0418369
CONNECTIONS:
o EQ510 o EQ579
[ TS3185 ] Animation C1 ENERGY= 1453.6 kJ/mol
Energy+ZPE= 1433.6 kJ/mol ZPE= 0.0419362
CONNECTIONS:
o EQ510 o EQ579
[ TS3186 ] Animation C1 ENERGY= 1236.7 kJ/mol
Energy+ZPE= 1207.0 kJ/mol ZPE= 0.0382354
CONNECTIONS:
o EQ510 o DDC1093
[ TS3187 ] Animation C1 ENERGY= 1272.0 kJ/mol
Energy+ZPE= 1245.3 kJ/mol ZPE= 0.0393681
CONNECTIONS:
o EQ510 o DDC1094
[ TS3188 ] Animation C1 ENERGY= 1277.3 kJ/mol
Energy+ZPE= 1249.5 kJ/mol ZPE= 0.0389417
CONNECTIONS:
o EQ510 o DDC1095
[ TS3189 ] Animation C1 ENERGY= 1377.0 kJ/mol
Energy+ZPE= 1345.0 kJ/mol ZPE= 0.0373443
CONNECTIONS:
o EQ511 o EQ548
[ TS3190 ] Animation C1 ENERGY= 1443.4 kJ/mol
Energy+ZPE= 1422.9 kJ/mol ZPE= 0.0417426
CONNECTIONS:
o EQ511 o EQ578
[ TS3191 ] Animation C1 ENERGY= 1444.6 kJ/mol
Energy+ZPE= 1423.7 kJ/mol ZPE= 0.0416032
CONNECTIONS:
o EQ511 o EQ578
[ TS3192 ] Animation C1 ENERGY= 1425.7 kJ/mol
Energy+ZPE= 1399.6 kJ/mol ZPE= 0.0395966
CONNECTIONS:
o EQ511 o EQ579
[ TS3193 ] Animation C1 ENERGY= 1445.5 kJ/mol
Energy+ZPE= 1424.5 kJ/mol ZPE= 0.0415406
CONNECTIONS:
o EQ511 o EQ579
[ TS3194 ] Animation C1 ENERGY= 1236.2 kJ/mol
Energy+ZPE= 1206.6 kJ/mol ZPE= 0.0382734
CONNECTIONS:
o EQ511 o DDC1096
[ TS3195 ] Animation C1 ENERGY= 1398.7 kJ/mol
Energy+ZPE= 1362.9 kJ/mol ZPE= 0.0359061
CONNECTIONS:
o EQ511 o DDC1097
[ TS3196 ] Animation C1 ENERGY= 1543.8 kJ/mol
Energy+ZPE= 1509.6 kJ/mol ZPE= 0.0365262
CONNECTIONS:
o EQ511 o DDC1098
[ TS3197 ] Animation C1 ENERGY= 1145.3 kJ/mol
Energy+ZPE= 1130.4 kJ/mol ZPE= 0.0438716
CONNECTIONS:
o EQ512 o EQ512
[ TS3198 ] Animation C1 ENERGY= 1177.6 kJ/mol
Energy+ZPE= 1162.9 kJ/mol ZPE= 0.0439452
CONNECTIONS:
o EQ512 o EQ523
[ TS3199 ] Animation C1 ENERGY= 1300.7 kJ/mol
Energy+ZPE= 1279.7 kJ/mol ZPE= 0.0415568
CONNECTIONS:
o EQ512 o EQ535
[ TS3200 ] Animation C1 ENERGY= 1330.0 kJ/mol
Energy+ZPE= 1308.8 kJ/mol ZPE= 0.0414580
CONNECTIONS:
o EQ512 o EQ542
[ TS3201 ] Animation C1 ENERGY= 1202.8 kJ/mol
Energy+ZPE= 1182.0 kJ/mol ZPE= 0.0416069
CONNECTIONS:
o EQ512 o DDC1099
[ TS3202 ] Animation C1 ENERGY= 1235.3 kJ/mol
Energy+ZPE= 1216.4 kJ/mol ZPE= 0.0423297
CONNECTIONS:
o EQ512 o DDC1100
[ TS3203 ] Animation C1 ENERGY= 1246.8 kJ/mol
Energy+ZPE= 1219.1 kJ/mol ZPE= 0.0389853
CONNECTIONS:
o EQ512 o DDC1101
[ TS3204 ] Animation C1 ENERGY= 1289.7 kJ/mol
Energy+ZPE= 1261.8 kJ/mol ZPE= 0.0389188
CONNECTIONS:
o EQ512 o DDC1102
[ TS3205 ] Animation C1 ENERGY= 1451.9 kJ/mol
Energy+ZPE= 1422.7 kJ/mol ZPE= 0.0384139
CONNECTIONS:
o EQ512 o DDC1103
[ TS3206 ] Animation C1 ENERGY= 1151.9 kJ/mol
Energy+ZPE= 1125.1 kJ/mol ZPE= 0.0393500
CONNECTIONS:
o EQ513 o EQ517
[ TS3207 ] Animation C1 ENERGY= 1156.1 kJ/mol
Energy+ZPE= 1131.6 kJ/mol ZPE= 0.0402086
CONNECTIONS:
o EQ513 o DDC1104
[ TS3208 ] Animation C1 ENERGY= 1174.7 kJ/mol
Energy+ZPE= 1148.3 kJ/mol ZPE= 0.0394965
CONNECTIONS:
o EQ513 o DDC1105
[ TS3209 ] Animation C1 ENERGY= 1151.7 kJ/mol
Energy+ZPE= 1124.9 kJ/mol ZPE= 0.0393446
CONNECTIONS:
o EQ514 o EQ515
[ TS3210 ] Animation C1 ENERGY= 1163.0 kJ/mol
Energy+ZPE= 1135.4 kJ/mol ZPE= 0.0390409
CONNECTIONS:
o EQ514 o EQ521
[ TS3211 ] Animation C1 ENERGY= 1157.9 kJ/mol
Energy+ZPE= 1130.6 kJ/mol ZPE= 0.0391507
CONNECTIONS:
o EQ514 o DDC1106
[ TS3212 ] Animation C1 ENERGY= 1160.1 kJ/mol
Energy+ZPE= 1132.6 kJ/mol ZPE= 0.0390739
CONNECTIONS:
o EQ514 o DDC1107
[ TS3213 ] Animation C1 ENERGY= 1175.5 kJ/mol
Energy+ZPE= 1149.0 kJ/mol ZPE= 0.0394646
CONNECTIONS:
o EQ514 o DDC1108
[ TS3214 ] Animation C1 ENERGY= 1180.3 kJ/mol
Energy+ZPE= 1153.1 kJ/mol ZPE= 0.0392025
CONNECTIONS:
o EQ514 o DDC1109
[ TS3215 ] Animation C1 ENERGY= 1309.5 kJ/mol
Energy+ZPE= 1279.4 kJ/mol ZPE= 0.0380874
CONNECTIONS:
o EQ514 o DDC1110
[ TS3216 ] Animation C1 ENERGY= 1187.7 kJ/mol
Energy+ZPE= 1162.3 kJ/mol ZPE= 0.0398702
CONNECTIONS:
o EQ516 o DDC1111
[ TS3217 ] Animation C1 ENERGY= 1225.3 kJ/mol
Energy+ZPE= 1202.4 kJ/mol ZPE= 0.0408224
CONNECTIONS:
o EQ516 o DDC1112
[ TS3218 ] Animation C1 ENERGY= 1239.1 kJ/mol
Energy+ZPE= 1207.3 kJ/mol ZPE= 0.0374309
CONNECTIONS:
o EQ516 o DDC1113
[ TS3219 ] Animation C1 ENERGY= 1160.4 kJ/mol
Energy+ZPE= 1142.1 kJ/mol ZPE= 0.0425843
CONNECTIONS:
o EQ519 o EQ519
[ TS3220 ] Animation C1 ENERGY= 1170.0 kJ/mol
Energy+ZPE= 1152.0 kJ/mol ZPE= 0.0426776
CONNECTIONS:
o EQ519 o EQ522
[ TS3221 ] Animation C1 ENERGY= 1369.2 kJ/mol
Energy+ZPE= 1343.5 kJ/mol ZPE= 0.0397757
CONNECTIONS:
o EQ519 o EQ566
[ TS3222 ] Animation C1 ENERGY= 1168.4 kJ/mol
Energy+ZPE= 1146.5 kJ/mol ZPE= 0.0412099
CONNECTIONS:
o EQ519 o DDC1114
[ TS3223 ] Animation Cs ENERGY= 1212.2 kJ/mol
Energy+ZPE= 1179.1 kJ/mol ZPE= 0.0369381
CONNECTIONS:
o EQ519 o DDC1115
[ TS3224 ] Animation C1 ENERGY= 1219.7 kJ/mol
Energy+ZPE= 1194.9 kJ/mol ZPE= 0.0401069
CONNECTIONS:
o EQ519 o DDC1116
[ TS3225 ] Animation C1 ENERGY= 1255.0 kJ/mol
Energy+ZPE= 1231.3 kJ/mol ZPE= 0.0405339
CONNECTIONS:
o EQ519 o DDC1117
[ TS3226 ] Animation Cs ENERGY= 1168.4 kJ/mol
Energy+ZPE= 1152.0 kJ/mol ZPE= 0.0432899
CONNECTIONS:
o EQ520 o EQ520
[ TS3227 ] Animation C1 ENERGY= 1196.5 kJ/mol
Energy+ZPE= 1177.9 kJ/mol ZPE= 0.0424602
CONNECTIONS:
o EQ520 o EQ533
[ TS3228 ] Animation C1 ENERGY= 1317.4 kJ/mol
Energy+ZPE= 1295.4 kJ/mol ZPE= 0.0411721
CONNECTIONS:
o EQ520 o EQ546
[ TS3229 ] Animation C1 ENERGY= 1331.4 kJ/mol
Energy+ZPE= 1308.4 kJ/mol ZPE= 0.0407759
CONNECTIONS:
o EQ520 o EQ548
[ TS3230 ] Animation C1 ENERGY= 1470.9 kJ/mol
Energy+ZPE= 1437.0 kJ/mol ZPE= 0.0366353
CONNECTIONS:
o EQ520 o DDC1118
[ TS3231 ] Animation Cs ENERGY= 1162.6 kJ/mol
Energy+ZPE= 1135.1 kJ/mol ZPE= 0.0390883
CONNECTIONS:
o EQ521 o EQ521
[ TS3232 ] Animation C1 ENERGY= 1173.8 kJ/mol
Energy+ZPE= 1148.5 kJ/mol ZPE= 0.0399112
CONNECTIONS:
o EQ521 o DDC1119
[ TS3233 ] Animation C1 ENERGY= 1181.1 kJ/mol
Energy+ZPE= 1154.8 kJ/mol ZPE= 0.0395433
CONNECTIONS:
o EQ521 o DDC1120
[ TS3234 ] Animation Cs ENERGY= 1391.2 kJ/mol
Energy+ZPE= 1364.6 kJ/mol ZPE= 0.0394295
CONNECTIONS:
o EQ522 o EQ541
[ TS3235 ] Animation Cs ENERGY= 1244.4 kJ/mol
Energy+ZPE= 1211.4 kJ/mol ZPE= 0.0369603
CONNECTIONS:
o EQ522 o DDC1121
[ TS3236 ] Animation C1 ENERGY= 1263.9 kJ/mol
Energy+ZPE= 1241.2 kJ/mol ZPE= 0.0408890
CONNECTIONS:
o EQ522 o DDC1122
[ TS3237 ] Animation C1 ENERGY= 1317.7 kJ/mol
Energy+ZPE= 1293.2 kJ/mol ZPE= 0.0402207
CONNECTIONS:
o EQ523 o DDC1123
[ TS3238 ] Animation C1 ENERGY= 1324.6 kJ/mol
Energy+ZPE= 1303.0 kJ/mol ZPE= 0.0413012
CONNECTIONS:
o EQ523 o DDC1124
[ TS3239 ] Animation C1 ENERGY= 1183.0 kJ/mol
Energy+ZPE= 1156.5 kJ/mol ZPE= 0.0394405
CONNECTIONS:
o EQ524 o EQ527
[ TS3240 ] Animation C1 ENERGY= 1190.2 kJ/mol
Energy+ZPE= 1162.8 kJ/mol ZPE= 0.0391204
CONNECTIONS:
o EQ524 o EQ527
[ TS3241 ] Animation C1 ENERGY= 1229.5 kJ/mol
Energy+ZPE= 1203.8 kJ/mol ZPE= 0.0397489
CONNECTIONS:
o EQ524 o EQ529
[ TS3242 ] Animation C1 ENERGY= 1187.1 kJ/mol
Energy+ZPE= 1161.4 kJ/mol ZPE= 0.0397684
CONNECTIONS:
o EQ524 o DDC1125
[ TS3243 ] Animation C1 ENERGY= 1204.7 kJ/mol
Energy+ZPE= 1177.0 kJ/mol ZPE= 0.0390013
CONNECTIONS:
o EQ524 o DDC1126
[ TS3244 ] Animation C1 ENERGY= 1182.8 kJ/mol
Energy+ZPE= 1163.5 kJ/mol ZPE= 0.0421799
CONNECTIONS:
o EQ525 o EQ526
[ TS3245 ] Animation Cs ENERGY= 1225.6 kJ/mol
Energy+ZPE= 1192.4 kJ/mol ZPE= 0.0368933
CONNECTIONS:
o EQ525 o DDC1127
[ TS3246 ] Animation C1 ENERGY= 1213.6 kJ/mol
Energy+ZPE= 1193.4 kJ/mol ZPE= 0.0418546
CONNECTIONS:
o EQ526 o EQ541
[ TS3247 ] Animation C1 ENERGY= 1194.0 kJ/mol
Energy+ZPE= 1171.3 kJ/mol ZPE= 0.0408867
CONNECTIONS:
o EQ526 o DDC1128
[ TS3248 ] Animation C1 ENERGY= 1229.8 kJ/mol
Energy+ZPE= 1207.8 kJ/mol ZPE= 0.0411766
CONNECTIONS:
o EQ526 o DDC1129
[ TS3249 ] Animation C1 ENERGY= 1231.5 kJ/mol
Energy+ZPE= 1206.4 kJ/mol ZPE= 0.0399994
CONNECTIONS:
o EQ526 o DDC1130
[ TS3250 ] Animation C1 ENERGY= 1187.6 kJ/mol
Energy+ZPE= 1160.8 kJ/mol ZPE= 0.0393582
CONNECTIONS:
o EQ527 o DDC1131
[ TS3251 ] Animation C1 ENERGY= 1189.1 kJ/mol
Energy+ZPE= 1162.6 kJ/mol ZPE= 0.0394509
CONNECTIONS:
o EQ527 o DDC1132
[ TS3252 ] Animation C1 ENERGY= 1318.3 kJ/mol
Energy+ZPE= 1283.1 kJ/mol ZPE= 0.0361519
CONNECTIONS:
o EQ527 o DDC1133
[ TS3253 ] Animation C1 ENERGY= 1187.4 kJ/mol
Energy+ZPE= 1160.0 kJ/mol ZPE= 0.0391015
CONNECTIONS:
o EQ528 o EQ529
[ TS3254 ] Animation C1 ENERGY= 1190.4 kJ/mol
Energy+ZPE= 1162.9 kJ/mol ZPE= 0.0390561
CONNECTIONS:
o EQ528 o EQ529
[ TS3255 ] Animation C1 ENERGY= 1199.1 kJ/mol
Energy+ZPE= 1171.9 kJ/mol ZPE= 0.0391997
CONNECTIONS:
o EQ528 o EQ537
[ TS3256 ] Animation C1 ENERGY= 1188.2 kJ/mol
Energy+ZPE= 1161.7 kJ/mol ZPE= 0.0394585
CONNECTIONS:
o EQ528 o DDC1134
[ TS3257 ] Animation C1 ENERGY= 1361.0 kJ/mol
Energy+ZPE= 1332.9 kJ/mol ZPE= 0.0388510
CONNECTIONS:
o EQ528 o DDC1135
[ TS3258 ] Animation C1 ENERGY= 1189.0 kJ/mol
Energy+ZPE= 1162.0 kJ/mol ZPE= 0.0392559
CONNECTIONS:
o EQ529 o DDC1136
[ TS3259 ] Animation C1 ENERGY= 1324.9 kJ/mol
Energy+ZPE= 1289.7 kJ/mol ZPE= 0.0361254
CONNECTIONS:
o EQ529 o DDC1137
[ TS3260 ] Animation C1 ENERGY= 1353.3 kJ/mol
Energy+ZPE= 1325.5 kJ/mol ZPE= 0.0389616
CONNECTIONS:
o EQ529 o DDC1138
[ TS3261 ] Animation C1 ENERGY= 1216.4 kJ/mol
Energy+ZPE= 1193.9 kJ/mol ZPE= 0.0409896
CONNECTIONS:
o EQ530 o EQ531
[ TS3262 ] Animation C1 ENERGY= 1280.8 kJ/mol
Energy+ZPE= 1257.8 kJ/mol ZPE= 0.0407884
CONNECTIONS:
o EQ530 o EQ532
[ TS3263 ] Animation C1 ENERGY= 1194.7 kJ/mol
Energy+ZPE= 1174.4 kJ/mol ZPE= 0.0418225
CONNECTIONS:
o EQ530 o EQ534
[ TS3264 ] Animation C1 ENERGY= 1307.3 kJ/mol
Energy+ZPE= 1277.8 kJ/mol ZPE= 0.0383290
CONNECTIONS:
o EQ530 o EQ546
[ TS3265 ] Animation C1 ENERGY= 1192.7 kJ/mol
Energy+ZPE= 1172.4 kJ/mol ZPE= 0.0418044
CONNECTIONS:
o EQ531 o EQ532
[ TS3266 ] Animation C1 ENERGY= 1272.2 kJ/mol
Energy+ZPE= 1250.6 kJ/mol ZPE= 0.0413246
CONNECTIONS:
o EQ531 o EQ534
[ TS3267 ] Animation C1 ENERGY= 1272.8 kJ/mol
Energy+ZPE= 1241.8 kJ/mol ZPE= 0.0377541
CONNECTIONS:
o EQ531 o EQ544
[ TS3268 ] Animation C1 ENERGY= 1208.4 kJ/mol
Energy+ZPE= 1183.6 kJ/mol ZPE= 0.0400835
CONNECTIONS:
o EQ532 o DDC1139
[ TS3269 ] Animation C1 ENERGY= 1254.9 kJ/mol
Energy+ZPE= 1233.9 kJ/mol ZPE= 0.0415591
CONNECTIONS:
o EQ532 o DDC1140
[ TS3270 ] Animation Cs ENERGY= 1283.8 kJ/mol
Energy+ZPE= 1244.9 kJ/mol ZPE= 0.0347284
CONNECTIONS:
o EQ533 o DDC1141
[ TS3271 ] Animation C1 ENERGY= 1274.0 kJ/mol
Energy+ZPE= 1243.4 kJ/mol ZPE= 0.0378866
CONNECTIONS:
o EQ534 o EQ545
[ TS3272 ] Animation C1 ENERGY= 1359.7 kJ/mol
Energy+ZPE= 1338.7 kJ/mol ZPE= 0.0415573
CONNECTIONS:
o EQ535 o EQ540
[ TS3273 ] Animation C1 ENERGY= 1258.3 kJ/mol
Energy+ZPE= 1239.4 kJ/mol ZPE= 0.0423660
CONNECTIONS:
o EQ535 o EQ542
[ TS3274 ] Animation C1 ENERGY= 1295.5 kJ/mol
Energy+ZPE= 1265.7 kJ/mol ZPE= 0.0381831
CONNECTIONS:
o EQ535 o DDC1142
[ TS3275 ] Animation C1 ENERGY= 1200.4 kJ/mol
Energy+ZPE= 1175.3 kJ/mol ZPE= 0.0399809
CONNECTIONS:
o EQ536 o DDC1143
[ TS3276 ] Animation C1 ENERGY= 1209.3 kJ/mol
Energy+ZPE= 1190.4 kJ/mol ZPE= 0.0423515
CONNECTIONS:
o EQ536 o DDC1144
[ TS3277 ] Animation C1 ENERGY= 1219.9 kJ/mol
Energy+ZPE= 1195.9 kJ/mol ZPE= 0.0404138
CONNECTIONS:
o EQ536 o DDC1145
[ TS3278 ] Animation C1 ENERGY= 1231.1 kJ/mol
Energy+ZPE= 1208.7 kJ/mol ZPE= 0.0409988
CONNECTIONS:
o EQ536 o DDC1146
[ TS3279 ] Animation C1 ENERGY= 1232.9 kJ/mol
Energy+ZPE= 1207.6 kJ/mol ZPE= 0.0399190
CONNECTIONS:
o EQ537 o DDC1147
[ TS3280 ] Animation C1 ENERGY= 1218.5 kJ/mol
Energy+ZPE= 1191.0 kJ/mol ZPE= 0.0390722
CONNECTIONS:
o EQ538 o EQ539
[ TS3281 ] Animation C1 ENERGY= 1206.1 kJ/mol
Energy+ZPE= 1177.2 kJ/mol ZPE= 0.0385562
CONNECTIONS:
o EQ538 o DDC1148
[ TS3282 ] Animation C1 ENERGY= 1208.6 kJ/mol
Energy+ZPE= 1182.4 kJ/mol ZPE= 0.0395809
CONNECTIONS:
o EQ538 o DDC1149
[ TS3283 ] Animation C1 ENERGY= 1205.9 kJ/mol
Energy+ZPE= 1177.0 kJ/mol ZPE= 0.0385373
CONNECTIONS:
o EQ539 o DDC1150
[ TS3284 ] Animation C1 ENERGY= 1210.0 kJ/mol
Energy+ZPE= 1184.2 kJ/mol ZPE= 0.0397033
CONNECTIONS:
o EQ539 o DDC1151
[ TS3285 ] Animation C1 ENERGY= 1232.1 kJ/mol
Energy+ZPE= 1207.9 kJ/mol ZPE= 0.0403141
CONNECTIONS:
o EQ539 o DDC1152
[ TS3286 ] Animation Cs ENERGY= 1210.2 kJ/mol
Energy+ZPE= 1193.9 kJ/mol ZPE= 0.0433208
CONNECTIONS:
o EQ540 o EQ540
[ TS3287 ] Animation C1 ENERGY= 1290.6 kJ/mol
Energy+ZPE= 1261.4 kJ/mol ZPE= 0.0384219
CONNECTIONS:
o EQ540 o DDC1153
[ TS3288 ] Animation C1 ENERGY= 1397.6 kJ/mol
Energy+ZPE= 1370.5 kJ/mol ZPE= 0.0392143
CONNECTIONS:
o EQ540 o DDC1154
[ TS3289 ] Animation C1 ENERGY= 1264.3 kJ/mol
Energy+ZPE= 1241.0 kJ/mol ZPE= 0.0406893
CONNECTIONS:
o EQ541 o DDC1155
[ TS3290 ] Animation Cs ENERGY= 1377.6 kJ/mol
Energy+ZPE= 1325.0 kJ/mol ZPE= 0.0295199
CONNECTIONS:
o EQ541 o DDC1156
[ TS3291 ] Animation C1 ENERGY= 1356.2 kJ/mol
Energy+ZPE= 1333.0 kJ/mol ZPE= 0.0407211
CONNECTIONS:
o EQ542 o EQ548
[ TS3292 ] Animation C1 ENERGY= 1294.9 kJ/mol
Energy+ZPE= 1274.7 kJ/mol ZPE= 0.0418682
CONNECTIONS:
o EQ542 o DDC1157
[ TS3293 ] Animation C1 ENERGY= 1364.0 kJ/mol
Energy+ZPE= 1336.8 kJ/mol ZPE= 0.0391984
CONNECTIONS:
o EQ542 o DDC1158
[ TS3294 ] Animation C1 ENERGY= 1257.1 kJ/mol
Energy+ZPE= 1234.8 kJ/mol ZPE= 0.0410437
CONNECTIONS:
o EQ543 o EQ547
[ TS3295 ] Animation C1 ENERGY= 1250.1 kJ/mol
Energy+ZPE= 1224.2 kJ/mol ZPE= 0.0396874
CONNECTIONS:
o EQ544 o EQ549
[ TS3296 ] Animation C1 ENERGY= 1235.5 kJ/mol
Energy+ZPE= 1212.9 kJ/mol ZPE= 0.0409221
CONNECTIONS:
o EQ544 o DDC1159
[ TS3297 ] Animation C1 ENERGY= 1241.4 kJ/mol
Energy+ZPE= 1217.4 kJ/mol ZPE= 0.0404123
CONNECTIONS:
o EQ544 o DDC1160
[ TS3298 ] Animation C1 ENERGY= 1243.2 kJ/mol
Energy+ZPE= 1217.9 kJ/mol ZPE= 0.0399132
CONNECTIONS:
o EQ544 o DDC1161
[ TS3299 ] Animation C1 ENERGY= 1246.0 kJ/mol
Energy+ZPE= 1222.4 kJ/mol ZPE= 0.0405515
CONNECTIONS:
o EQ544 o DDC1162
[ TS3300 ] Animation C1 ENERGY= 1240.4 kJ/mol
Energy+ZPE= 1213.6 kJ/mol ZPE= 0.0393218
CONNECTIONS:
o EQ545 o EQ549
[ TS3301 ] Animation C1 ENERGY= 1250.3 kJ/mol
Energy+ZPE= 1224.5 kJ/mol ZPE= 0.0397222
CONNECTIONS:
o EQ545 o EQ550
[ TS3302 ] Animation C1 ENERGY= 1233.1 kJ/mol
Energy+ZPE= 1210.6 kJ/mol ZPE= 0.0409948
CONNECTIONS:
o EQ545 o DDC1163
[ TS3303 ] Animation C1 ENERGY= 1243.0 kJ/mol
Energy+ZPE= 1217.6 kJ/mol ZPE= 0.0398857
CONNECTIONS:
o EQ545 o DDC1164
[ TS3304 ] Animation C1 ENERGY= 1243.5 kJ/mol
Energy+ZPE= 1218.6 kJ/mol ZPE= 0.0400700
CONNECTIONS:
o EQ545 o DDC1165
[ TS3305 ] Animation C1 ENERGY= 1260.3 kJ/mol
Energy+ZPE= 1233.7 kJ/mol ZPE= 0.0394061
CONNECTIONS:
o EQ545 o DDC1166
[ TS3306 ] Animation Cs ENERGY= 1238.7 kJ/mol
Energy+ZPE= 1220.3 kJ/mol ZPE= 0.0425567
CONNECTIONS:
o EQ546 o EQ546
[ TS3307 ] Animation C1 ENERGY= 1286.9 kJ/mol
Energy+ZPE= 1266.0 kJ/mol ZPE= 0.0415791
CONNECTIONS:
o EQ546 o EQ548
[ TS3308 ] Animation C1 ENERGY= 1369.3 kJ/mol
Energy+ZPE= 1340.9 kJ/mol ZPE= 0.0387221
CONNECTIONS:
o EQ546 o DDC1167
[ TS3309 ] Animation C1 ENERGY= 1272.7 kJ/mol
Energy+ZPE= 1249.3 kJ/mol ZPE= 0.0406457
CONNECTIONS:
o EQ547 o EQ551
[ TS3310 ] Animation C1 ENERGY= 1274.6 kJ/mol
Energy+ZPE= 1254.7 kJ/mol ZPE= 0.0419695
CONNECTIONS:
o EQ547 o EQ552
[ TS3311 ] Animation C1 ENERGY= 1297.0 kJ/mol
Energy+ZPE= 1273.2 kJ/mol ZPE= 0.0404646
CONNECTIONS:
o EQ547 o EQ556
[ TS3312 ] Animation C1 ENERGY= 1297.0 kJ/mol
Energy+ZPE= 1273.1 kJ/mol ZPE= 0.0404404
CONNECTIONS:
o EQ547 o EQ556
[ TS3313 ] Animation C1 ENERGY= 1308.2 kJ/mol
Energy+ZPE= 1287.0 kJ/mol ZPE= 0.0414586
CONNECTIONS:
o EQ547 o EQ559
[ TS3314 ] Animation C1 ENERGY= 1279.2 kJ/mol
Energy+ZPE= 1253.9 kJ/mol ZPE= 0.0399029
CONNECTIONS:
o EQ547 o DDC1168
[ TS3315 ] Animation C1 ENERGY= 1305.2 kJ/mol
Energy+ZPE= 1276.8 kJ/mol ZPE= 0.0387450
CONNECTIONS:
o EQ547 o DDC1169
[ TS3316 ] Animation Cs ENERGY= 1384.7 kJ/mol
Energy+ZPE= 1342.6 kJ/mol ZPE= 0.0334943
CONNECTIONS:
o EQ548 o DDC1170
[ TS3317 ] Animation C1 ENERGY= 1245.7 kJ/mol
Energy+ZPE= 1218.9 kJ/mol ZPE= 0.0393459
CONNECTIONS:
o EQ550 o EQ550
[ TS3318 ] Animation C1 ENERGY= 1241.3 kJ/mol
Energy+ZPE= 1214.4 kJ/mol ZPE= 0.0393153
CONNECTIONS:
o EQ550 o DDC1171
[ TS3319 ] Animation C1 ENERGY= 1251.6 kJ/mol
Energy+ZPE= 1231.8 kJ/mol ZPE= 0.0420108
CONNECTIONS:
o EQ551 o EQ552
[ TS3320 ] Animation C1 ENERGY= 1281.7 kJ/mol
Energy+ZPE= 1261.4 kJ/mol ZPE= 0.0417981
CONNECTIONS:
o EQ551 o DDC1172
[ TS3321 ] Animation C1 ENERGY= 1284.8 kJ/mol
Energy+ZPE= 1261.2 kJ/mol ZPE= 0.0405618
CONNECTIONS:
o EQ552 o EQ555
[ TS3322 ] Animation C1 ENERGY= 1323.5 kJ/mol
Energy+ZPE= 1298.4 kJ/mol ZPE= 0.0399806
CONNECTIONS:
o EQ552 o EQ555
[ TS3323 ] Animation C1 ENERGY= 1258.8 kJ/mol
Energy+ZPE= 1236.9 kJ/mol ZPE= 0.0412142
CONNECTIONS:
o EQ552 o DDC1173
[ TS3324 ] Animation C1 ENERGY= 1324.8 kJ/mol
Energy+ZPE= 1298.7 kJ/mol ZPE= 0.0395995
CONNECTIONS:
o EQ552 o DDC1174
[ TS3325 ] Animation C1 ENERGY= 1379.9 kJ/mol
Energy+ZPE= 1353.7 kJ/mol ZPE= 0.0395521
CONNECTIONS:
o EQ552 o DDC1175
[ TS3326 ] Animation C1 ENERGY= 1259.5 kJ/mol
Energy+ZPE= 1233.9 kJ/mol ZPE= 0.0397778
CONNECTIONS:
o EQ553 o DDC1176
[ TS3327 ] Animation C1 ENERGY= 1262.2 kJ/mol
Energy+ZPE= 1235.3 kJ/mol ZPE= 0.0392949
CONNECTIONS:
o EQ553 o DDC1177
[ TS3328 ] Animation C1 ENERGY= 1317.1 kJ/mol
Energy+ZPE= 1289.3 kJ/mol ZPE= 0.0389561
CONNECTIONS:
o EQ553 o DDC1178
[ TS3329 ] Animation C1 ENERGY= 1522.2 kJ/mol
Energy+ZPE= 1487.7 kJ/mol ZPE= 0.0364006
CONNECTIONS:
o EQ554 o EQ554
[ TS3330 ] Animation C1 ENERGY= 1263.1 kJ/mol
Energy+ZPE= 1236.4 kJ/mol ZPE= 0.0393855
CONNECTIONS:
o EQ554 o DDC1179
[ TS3331 ] Animation C1 ENERGY= 1263.3 kJ/mol
Energy+ZPE= 1236.3 kJ/mol ZPE= 0.0392645
CONNECTIONS:
o EQ554 o DDC1180
[ TS3332 ] Animation C1 ENERGY= 1309.6 kJ/mol
Energy+ZPE= 1278.8 kJ/mol ZPE= 0.0378309
CONNECTIONS:
o EQ554 o DDC1181
[ TS3333 ] Animation C1 ENERGY= 1327.1 kJ/mol
Energy+ZPE= 1296.7 kJ/mol ZPE= 0.0379685
CONNECTIONS:
o EQ554 o DDC1182
[ TS3334 ] Animation C1 ENERGY= 1330.4 kJ/mol
Energy+ZPE= 1307.9 kJ/mol ZPE= 0.0409765
CONNECTIONS:
o EQ555 o EQ556
[ TS3335 ] Animation C1 ENERGY= 1308.8 kJ/mol
Energy+ZPE= 1287.0 kJ/mol ZPE= 0.0412535
CONNECTIONS:
o EQ555 o EQ559
[ TS3336 ] Animation C1 ENERGY= 1289.2 kJ/mol
Energy+ZPE= 1263.8 kJ/mol ZPE= 0.0398843
CONNECTIONS:
o EQ555 o DDC1183
[ TS3337 ] Animation C1 ENERGY= 1298.0 kJ/mol
Energy+ZPE= 1274.8 kJ/mol ZPE= 0.0407129
CONNECTIONS:
o EQ555 o DDC1184
[ TS3338 ] Animation C1 ENERGY= 1302.6 kJ/mol
Energy+ZPE= 1277.1 kJ/mol ZPE= 0.0398233
CONNECTIONS:
o EQ555 o DDC1185
[ TS3339 ] Animation C1 ENERGY= 1333.5 kJ/mol
Energy+ZPE= 1306.4 kJ/mol ZPE= 0.0392253
CONNECTIONS:
o EQ555 o DDC1186
[ TS3340 ] Animation C1 ENERGY= 1316.5 kJ/mol
Energy+ZPE= 1294.3 kJ/mol ZPE= 0.0410959
CONNECTIONS:
o EQ556 o EQ563
[ TS3341 ] Animation C1 ENERGY= 1300.1 kJ/mol
Energy+ZPE= 1276.5 kJ/mol ZPE= 0.0405608
CONNECTIONS:
o EQ556 o DDC1187
[ TS3342 ] Animation C1 ENERGY= 1300.7 kJ/mol
Energy+ZPE= 1275.8 kJ/mol ZPE= 0.0400464
CONNECTIONS:
o EQ556 o DDC1188
[ TS3343 ] Animation C1 ENERGY= 1300.6 kJ/mol
Energy+ZPE= 1272.7 kJ/mol ZPE= 0.0389281
CONNECTIONS:
o EQ557 o DDC1189
[ TS3344 ] Animation C1 ENERGY= 1306.9 kJ/mol
Energy+ZPE= 1281.3 kJ/mol ZPE= 0.0398027
CONNECTIONS:
o EQ557 o DDC1190
[ TS3345 ] Animation C1 ENERGY= 1318.8 kJ/mol
Energy+ZPE= 1289.7 kJ/mol ZPE= 0.0384793
CONNECTIONS:
o EQ557 o DDC1191
[ TS3346 ] Animation C1 ENERGY= 1387.8 kJ/mol
Energy+ZPE= 1359.8 kJ/mol ZPE= 0.0388692
CONNECTIONS:
o EQ558 o EQ570
[ TS3347 ] Animation Cs ENERGY= 1435.9 kJ/mol
Energy+ZPE= 1401.0 kJ/mol ZPE= 0.0362612
CONNECTIONS:
o EQ558 o EQ571
[ TS3348 ] Animation C1 ENERGY= 1362.6 kJ/mol
Energy+ZPE= 1338.3 kJ/mol ZPE= 0.0403024
CONNECTIONS:
o EQ558 o DDC1192
[ TS3349 ] Animation C1 ENERGY= 1376.7 kJ/mol
Energy+ZPE= 1351.7 kJ/mol ZPE= 0.0400413
CONNECTIONS:
o EQ558 o DDC1193
[ TS3350 ] Animation C1 ENERGY= 1378.4 kJ/mol
Energy+ZPE= 1353.2 kJ/mol ZPE= 0.0399654
CONNECTIONS:
o EQ558 o DDC1194
[ TS3351 ] Animation C1 ENERGY= 1419.8 kJ/mol
Energy+ZPE= 1388.2 kJ/mol ZPE= 0.0375219
CONNECTIONS:
o EQ558 o DDC1195
[ TS3352 ] Animation C1 ENERGY= 1446.1 kJ/mol
Energy+ZPE= 1411.9 kJ/mol ZPE= 0.0365065
CONNECTIONS:
o EQ558 o DDC1196
[ TS3353 ] Animation C1 ENERGY= 1316.7 kJ/mol
Energy+ZPE= 1294.8 kJ/mol ZPE= 0.0412124
CONNECTIONS:
o EQ559 o EQ563
[ TS3354 ] Animation C1 ENERGY= 1467.8 kJ/mol
Energy+ZPE= 1445.4 kJ/mol ZPE= 0.0410276
CONNECTIONS:
o EQ559 o EQ578
[ TS3355 ] Animation C1 ENERGY= 1339.0 kJ/mol
Energy+ZPE= 1306.7 kJ/mol ZPE= 0.0372617
CONNECTIONS:
o EQ560 o EQ561
[ TS3356 ] Animation Cs ENERGY= 1388.2 kJ/mol
Energy+ZPE= 1350.4 kJ/mol ZPE= 0.0351615
CONNECTIONS:
o EQ560 o EQ568
[ TS3357 ] Animation C1 ENERGY= 1458.0 kJ/mol
Energy+ZPE= 1425.2 kJ/mol ZPE= 0.0370538
CONNECTIONS:
o EQ560 o EQ580
[ TS3358 ] Animation C1 ENERGY= 1314.4 kJ/mol
Energy+ZPE= 1285.0 kJ/mol ZPE= 0.0383377
CONNECTIONS:
o EQ560 o DDC1197
[ TS3359 ] Animation C1 ENERGY= 1322.7 kJ/mol
Energy+ZPE= 1292.4 kJ/mol ZPE= 0.0380158
CONNECTIONS:
o EQ560 o DDC1198
[ TS3360 ] Animation Cs ENERGY= 1331.2 kJ/mol
Energy+ZPE= 1298.3 kJ/mol ZPE= 0.0370092
CONNECTIONS:
o EQ560 o DDC1199
[ TS3361 ] Animation C1 ENERGY= 1345.2 kJ/mol
Energy+ZPE= 1312.1 kJ/mol ZPE= 0.0369457
CONNECTIONS:
o EQ560 o DDC1200
[ TS3362 ] Animation C1 ENERGY= 1325.3 kJ/mol
Energy+ZPE= 1294.8 kJ/mol ZPE= 0.0379434
CONNECTIONS:
o EQ561 o EQ567
[ TS3363 ] Animation Cs ENERGY= 1392.4 kJ/mol
Energy+ZPE= 1354.2 kJ/mol ZPE= 0.0349963
CONNECTIONS:
o EQ561 o EQ569
[ TS3364 ] Animation Cs ENERGY= 1323.1 kJ/mol
Energy+ZPE= 1290.2 kJ/mol ZPE= 0.0370342
CONNECTIONS:
o EQ561 o DDC1201
[ TS3365 ] Animation C1 ENERGY= 1323.2 kJ/mol
Energy+ZPE= 1292.4 kJ/mol ZPE= 0.0378190
CONNECTIONS:
o EQ561 o DDC1202
[ TS3366 ] Animation C1 ENERGY= 1336.4 kJ/mol
Energy+ZPE= 1303.7 kJ/mol ZPE= 0.0370873
CONNECTIONS:
o EQ561 o DDC1203
[ TS3367 ] Animation C1 ENERGY= 1336.7 kJ/mol
Energy+ZPE= 1303.7 kJ/mol ZPE= 0.0369957
CONNECTIONS:
o EQ561 o DDC1204
[ TS3368 ] Animation C1 ENERGY= 1349.4 kJ/mol
Energy+ZPE= 1316.6 kJ/mol ZPE= 0.0370409
CONNECTIONS:
o EQ561 o DDC1205
[ TS3369 ] Animation C1 ENERGY= 1352.0 kJ/mol
Energy+ZPE= 1319.4 kJ/mol ZPE= 0.0371144
CONNECTIONS:
o EQ561 o DDC1206
[ TS3370 ] Animation Cs ENERGY= 1320.9 kJ/mol
Energy+ZPE= 1298.2 kJ/mol ZPE= 0.0409036
CONNECTIONS:
o EQ562 o EQ562
[ TS3371 ] Animation C1 ENERGY= 1325.4 kJ/mol
Energy+ZPE= 1302.8 kJ/mol ZPE= 0.0409503
CONNECTIONS:
o EQ562 o EQ566
[ TS3372 ] Animation C1 ENERGY= 1330.4 kJ/mol
Energy+ZPE= 1304.5 kJ/mol ZPE= 0.0396944
CONNECTIONS:
o EQ562 o DDC1207
[ TS3373 ] Animation C1 ENERGY= 1465.5 kJ/mol
Energy+ZPE= 1443.9 kJ/mol ZPE= 0.0413052
CONNECTIONS:
o EQ563 o EQ579
[ TS3374 ] Animation C1 ENERGY= 1324.6 kJ/mol
Energy+ZPE= 1298.7 kJ/mol ZPE= 0.0396815
CONNECTIONS:
o EQ564 o EQ565
[ TS3375 ] Animation C1 ENERGY= 1320.9 kJ/mol
Energy+ZPE= 1294.9 kJ/mol ZPE= 0.0396476
CONNECTIONS:
o EQ564 o DDC1208
[ TS3376 ] Animation Cs ENERGY= 1336.6 kJ/mol
Energy+ZPE= 1304.9 kJ/mol ZPE= 0.0374919
CONNECTIONS:
o EQ564 o DDC1209
[ TS3377 ] Animation C1 ENERGY= 1357.3 kJ/mol
Energy+ZPE= 1330.0 kJ/mol ZPE= 0.0391669
CONNECTIONS:
o EQ564 o DDC1210
[ TS3378 ] Animation C1 ENERGY= 1480.6 kJ/mol
Energy+ZPE= 1451.0 kJ/mol ZPE= 0.0382903
CONNECTIONS:
o EQ565 o EQ571
[ TS3379 ] Animation C1 ENERGY= 1322.3 kJ/mol
Energy+ZPE= 1297.3 kJ/mol ZPE= 0.0400323
CONNECTIONS:
o EQ565 o DDC1211
[ TS3380 ] Animation Cs ENERGY= 1345.6 kJ/mol
Energy+ZPE= 1313.4 kJ/mol ZPE= 0.0372657
CONNECTIONS:
o EQ565 o DDC1212
[ TS3381 ] Animation C1 ENERGY= 1358.6 kJ/mol
Energy+ZPE= 1332.0 kJ/mol ZPE= 0.0394081
CONNECTIONS:
o EQ565 o DDC1213
[ TS3382 ] Animation C1 ENERGY= 1436.0 kJ/mol
Energy+ZPE= 1398.9 kJ/mol ZPE= 0.0354143
CONNECTIONS:
o EQ566 o DDC1214
[ TS3383 ] Animation C1 ENERGY= 1336.8 kJ/mol
Energy+ZPE= 1302.2 kJ/mol ZPE= 0.0363836
CONNECTIONS:
o EQ567 o DDC1215
[ TS3384 ] Animation C1 ENERGY= 1337.8 kJ/mol
Energy+ZPE= 1307.9 kJ/mol ZPE= 0.0381487
CONNECTIONS:
o EQ568 o EQ571
[ TS3385 ] Animation C1 ENERGY= 1333.0 kJ/mol
Energy+ZPE= 1303.2 kJ/mol ZPE= 0.0381980
CONNECTIONS:
o EQ568 o DDC1216
[ TS3386 ] Animation Cs ENERGY= 1351.8 kJ/mol
Energy+ZPE= 1315.9 kJ/mol ZPE= 0.0358815
CONNECTIONS:
o EQ568 o DDC1217
[ TS3387 ] Animation Cs ENERGY= 1480.3 kJ/mol
Energy+ZPE= 1447.1 kJ/mol ZPE= 0.0368849
CONNECTIONS:
o EQ568 o DDC1218
[ TS3388 ] Animation C1 ENERGY= 1337.8 kJ/mol
Energy+ZPE= 1306.6 kJ/mol ZPE= 0.0376666
CONNECTIONS:
o EQ569 o EQ572
[ TS3389 ] Animation Cs ENERGY= 1332.2 kJ/mol
Energy+ZPE= 1298.6 kJ/mol ZPE= 0.0367447
CONNECTIONS:
o EQ569 o DDC1219
[ TS3390 ] Animation C1 ENERGY= 1337.7 kJ/mol
Energy+ZPE= 1305.8 kJ/mol ZPE= 0.0374132
CONNECTIONS:
o EQ569 o DDC1220
[ TS3391 ] Animation C1 ENERGY= 1345.6 kJ/mol
Energy+ZPE= 1313.4 kJ/mol ZPE= 0.0372881
CONNECTIONS:
o EQ569 o DDC1221
[ TS3392 ] Animation C1 ENERGY= 1358.7 kJ/mol
Energy+ZPE= 1325.8 kJ/mol ZPE= 0.0370291
CONNECTIONS:
o EQ569 o DDC1222
[ TS3393 ] Animation Cs ENERGY= 1449.3 kJ/mol
Energy+ZPE= 1413.5 kJ/mol ZPE= 0.0359123
CONNECTIONS:
o EQ570 o EQ572
[ TS3394 ] Animation C1 ENERGY= 1390.1 kJ/mol
Energy+ZPE= 1363.9 kJ/mol ZPE= 0.0395704
CONNECTIONS:
o EQ570 o DDC1223
[ TS3395 ] Animation C1 ENERGY= 1402.6 kJ/mol
Energy+ZPE= 1375.6 kJ/mol ZPE= 0.0392691
CONNECTIONS:
o EQ570 o DDC1224
[ TS3396 ] Animation C1 ENERGY= 1403.2 kJ/mol
Energy+ZPE= 1376.2 kJ/mol ZPE= 0.0392623
CONNECTIONS:
o EQ570 o DDC1225
[ TS3397 ] Animation C1 ENERGY= 1439.2 kJ/mol
Energy+ZPE= 1406.4 kJ/mol ZPE= 0.0370597
CONNECTIONS:
o EQ570 o DDC1226
[ TS3398 ] Animation C1 ENERGY= 1356.4 kJ/mol
Energy+ZPE= 1323.3 kJ/mol ZPE= 0.0369314
CONNECTIONS:
o EQ572 o DDC1227
[ TS3399 ] Animation Cs ENERGY= 1351.3 kJ/mol
Energy+ZPE= 1326.9 kJ/mol ZPE= 0.0402409
CONNECTIONS:
o EQ573 o EQ573
[ TS3400 ] Animation Cs ENERGY= 1701.2 kJ/mol
Energy+ZPE= 1668.8 kJ/mol ZPE= 0.0372018
CONNECTIONS:
o EQ573 o EQ573
[ TS3401 ] Animation C1 ENERGY= 1366.6 kJ/mol
Energy+ZPE= 1342.4 kJ/mol ZPE= 0.0403335
CONNECTIONS:
o EQ573 o EQ575
[ TS3402 ] Animation C1 ENERGY= 1353.6 kJ/mol
Energy+ZPE= 1327.0 kJ/mol ZPE= 0.0394130
CONNECTIONS:
o EQ573 o DDC1228
[ TS3403 ] Animation C1 ENERGY= 1445.5 kJ/mol
Energy+ZPE= 1416.3 kJ/mol ZPE= 0.0384212
CONNECTIONS:
o EQ573 o DDC1229
[ TS3404 ] Animation C1 ENERGY= 1409.4 kJ/mol
Energy+ZPE= 1381.8 kJ/mol ZPE= 0.0390256
CONNECTIONS:
o EQ575 o DDC1230
[ TS3405 ] Animation C1 ENERGY= 1382.0 kJ/mol
Energy+ZPE= 1343.9 kJ/mol ZPE= 0.0350486
CONNECTIONS:
o EQ576 o DDC1231
[ TS3406 ] Animation C1 ENERGY= 1383.1 kJ/mol
Energy+ZPE= 1349.6 kJ/mol ZPE= 0.0367914
CONNECTIONS:
o EQ576 o DDC1232
[ TS3407 ] Animation C1 ENERGY= 1384.0 kJ/mol
Energy+ZPE= 1347.9 kJ/mol ZPE= 0.0358101
CONNECTIONS:
o EQ576 o DDC1233
[ TS3408 ] Animation C1 ENERGY= 1435.4 kJ/mol
Energy+ZPE= 1398.6 kJ/mol ZPE= 0.0355421
CONNECTIONS:
o EQ576 o DDC1234
[ TS3409 ] Animation C1 ENERGY= 1383.3 kJ/mol
Energy+ZPE= 1344.7 kJ/mol ZPE= 0.0348314
CONNECTIONS:
o EQ577 o DDC1235
[ TS3410 ] Animation C1 ENERGY= 1383.7 kJ/mol
Energy+ZPE= 1347.9 kJ/mol ZPE= 0.0358971
CONNECTIONS:
o EQ577 o DDC1236
[ TS3411 ] Animation C1 ENERGY= 1383.8 kJ/mol
Energy+ZPE= 1350.7 kJ/mol ZPE= 0.0369365
CONNECTIONS:
o EQ577 o DDC1237
[ TS3412 ] Animation C1 ENERGY= 1393.2 kJ/mol
Energy+ZPE= 1361.6 kJ/mol ZPE= 0.0374975
CONNECTIONS:
o EQ577 o DDC1238
[ TS3413 ] Animation C2 ENERGY= 1428.2 kJ/mol
Energy+ZPE= 1407.8 kJ/mol ZPE= 0.0417647
CONNECTIONS:
o EQ578 o EQ578
[ TS3414 ] Animation C1 ENERGY= 1435.5 kJ/mol
Energy+ZPE= 1413.1 kJ/mol ZPE= 0.0410114
CONNECTIONS:
o EQ578 o EQ579
[ TS3415 ] Animation C1 ENERGY= 1526.4 kJ/mol
Energy+ZPE= 1496.0 kJ/mol ZPE= 0.0379524
CONNECTIONS:
o EQ578 o DDC1239
[ TS3416 ] Animation Ci ENERGY= 1418.8 kJ/mol
Energy+ZPE= 1398.9 kJ/mol ZPE= 0.0419721
CONNECTIONS:
o EQ579 o EQ579
[ TS3417 ] Animation Cs ENERGY= 1429.7 kJ/mol
Energy+ZPE= 1409.0 kJ/mol ZPE= 0.0416590
CONNECTIONS:
o EQ579 o EQ579
[ TS3418 ] Animation C1 ENERGY= 1525.9 kJ/mol
Energy+ZPE= 1495.8 kJ/mol ZPE= 0.0380670
CONNECTIONS:
o EQ579 o DDC1240
[ TS3419 ] Animation C1 ENERGY= 1527.2 kJ/mol
Energy+ZPE= 1496.9 kJ/mol ZPE= 0.0380031
CONNECTIONS:
o EQ579 o DDC1241
[ TS3420 ] Animation C1 ENERGY= -52.6 kJ/mol
Energy+ZPE= -61.9 kJ/mol ZPE= 0.0460197
CONNECTIONS:
o DDC1243 o DDC1242
[ TS3421 ] Animation C1 ENERGY= -0.7 kJ/mol
Energy+ZPE= -14.3 kJ/mol ZPE= 0.0443604
CONNECTIONS:
o DDC1245 o DDC1244
[ TS3422 ] Animation C1 ENERGY= 69.3 kJ/mol
Energy+ZPE= 55.4 kJ/mol ZPE= 0.0442689
CONNECTIONS:
o DDC1247 o DDC1246
[ TS3423 ] Animation C1 ENERGY= 209.1 kJ/mol
Energy+ZPE= 194.2 kJ/mol ZPE= 0.0438842
CONNECTIONS:
o DDC1249 o DDC1248
[ TS3424 ] Animation C1 ENERGY= 218.0 kJ/mol
Energy+ZPE= 199.4 kJ/mol ZPE= 0.0424681
CONNECTIONS:
o DDC1251 o DDC1250
[ TS3425 ] Animation C1 ENERGY= 229.5 kJ/mol
Energy+ZPE= 209.8 kJ/mol ZPE= 0.0420285
CONNECTIONS:
o DDC1253 o DDC1252
[ TS3426 ] Animation C1 ENERGY= 257.0 kJ/mol
Energy+ZPE= 228.0 kJ/mol ZPE= 0.0385016
CONNECTIONS:
o DDC1255 o DDC1254
[ TS3427 ] Animation C1 ENERGY= 290.8 kJ/mol
Energy+ZPE= 262.5 kJ/mol ZPE= 0.0387675
CONNECTIONS:
o DDC1257 o DDC1256
[ TS3428 ] Animation C1 ENERGY= 294.1 kJ/mol
Energy+ZPE= 267.0 kJ/mol ZPE= 0.0392408
CONNECTIONS:
o DDC1259 o DDC1258
[ TS3429 ] Animation C1 ENERGY= 356.3 kJ/mol
Energy+ZPE= 333.5 kJ/mol ZPE= 0.0408569
CONNECTIONS:
o DDC1261 o DDC1260
[ TS3430 ] Animation C1 ENERGY= 375.5 kJ/mol
Energy+ZPE= 359.9 kJ/mol ZPE= 0.0435884
CONNECTIONS:
o DDC1263 o DDC1262
[ TS3431 ] Animation C1 ENERGY= 376.1 kJ/mol
Energy+ZPE= 363.0 kJ/mol ZPE= 0.0445658
CONNECTIONS:
o DDC1265 o DDC1264
[ TS3432 ] Animation C1 ENERGY= 377.7 kJ/mol
Energy+ZPE= 363.1 kJ/mol ZPE= 0.0439691
CONNECTIONS:
o DDC1267 o DDC1266
[ TS3433 ] Animation C1 ENERGY= 386.1 kJ/mol
Energy+ZPE= 367.6 kJ/mol ZPE= 0.0424970
CONNECTIONS:
o DDC1269 o DDC1268
[ TS3434 ] Animation C1 ENERGY= 389.5 kJ/mol
Energy+ZPE= 373.5 kJ/mol ZPE= 0.0434361
CONNECTIONS:
o DDC1271 o DDC1270
[ TS3435 ] Animation C1 ENERGY= 392.0 kJ/mol
Energy+ZPE= 375.1 kJ/mol ZPE= 0.0431265
CONNECTIONS:
o DDC1273 o DDC1272
[ TS3436 ] Animation C1 ENERGY= 393.4 kJ/mol
Energy+ZPE= 379.6 kJ/mol ZPE= 0.0442758
CONNECTIONS:
o DDC1275 o DDC1274
[ TS3437 ] Animation C1 ENERGY= 397.5 kJ/mol
Energy+ZPE= 377.3 kJ/mol ZPE= 0.0418459
CONNECTIONS:
o DDC1277 o DDC1276
[ TS3438 ] Animation C1 ENERGY= 401.1 kJ/mol
Energy+ZPE= 382.6 kJ/mol ZPE= 0.0424926
CONNECTIONS:
o DDC1279 o DDC1278
[ TS3439 ] Animation Cs ENERGY= 403.8 kJ/mol
Energy+ZPE= 386.1 kJ/mol ZPE= 0.0427908
CONNECTIONS:
o DDC1281 o DDC1280
[ TS3440 ] Animation C1 ENERGY= 409.9 kJ/mol
Energy+ZPE= 394.5 kJ/mol ZPE= 0.0436864
CONNECTIONS:
o DDC1283 o DDC1282
[ TS3441 ] Animation C1 ENERGY= 419.7 kJ/mol
Energy+ZPE= 396.7 kJ/mol ZPE= 0.0407877
CONNECTIONS:
o DDC1285 o DDC1284
[ TS3442 ] Animation Cs ENERGY= 426.8 kJ/mol
Energy+ZPE= 407.4 kJ/mol ZPE= 0.0421572
CONNECTIONS:
o DDC1287 o DDC1286
[ TS3443 ] Animation C1 ENERGY= 429.8 kJ/mol
Energy+ZPE= 404.2 kJ/mol ZPE= 0.0397808
CONNECTIONS:
o DDC1289 o DDC1288
[ TS3444 ] Animation C1 ENERGY= 436.9 kJ/mol
Energy+ZPE= 418.1 kJ/mol ZPE= 0.0423797
CONNECTIONS:
o DDC1291 o DDC1290
[ TS3445 ] Animation Cs ENERGY= 442.4 kJ/mol
Energy+ZPE= 422.8 kJ/mol ZPE= 0.0420832
CONNECTIONS:
o DDC1293 o DDC1292
[ TS3446 ] Animation Cs ENERGY= 464.8 kJ/mol
Energy+ZPE= 446.0 kJ/mol ZPE= 0.0423825
CONNECTIONS:
o DDC1295 o DDC1294
[ TS3447 ] Animation Cs ENERGY= 477.8 kJ/mol
Energy+ZPE= 458.2 kJ/mol ZPE= 0.0420972
CONNECTIONS:
o DDC1297 o DDC1296
[ TS3448 ] Animation Cs ENERGY= 478.9 kJ/mol
Energy+ZPE= 457.7 kJ/mol ZPE= 0.0414776
CONNECTIONS:
o DDC1299 o DDC1298
[ TS3449 ] Animation Cs ENERGY= 488.5 kJ/mol
Energy+ZPE= 471.5 kJ/mol ZPE= 0.0430675
CONNECTIONS:
o DDC1301 o DDC1300
[ TS3450 ] Animation C1 ENERGY= 495.1 kJ/mol
Energy+ZPE= 476.8 kJ/mol ZPE= 0.0425610
CONNECTIONS:
o DDC1303 o DDC1302
[ TS3451 ] Animation C1 ENERGY= 499.7 kJ/mol
Energy+ZPE= 471.0 kJ/mol ZPE= 0.0386334
CONNECTIONS:
o DDC1305 o DDC1304
[ TS3452 ] Animation C1 ENERGY= 502.7 kJ/mol
Energy+ZPE= 484.2 kJ/mol ZPE= 0.0424867
CONNECTIONS:
o DDC1307 o DDC1306
[ TS3453 ] Animation C1 ENERGY= 506.9 kJ/mol
Energy+ZPE= 489.8 kJ/mol ZPE= 0.0430326
CONNECTIONS:
o DDC1309 o DDC1308
[ TS3454 ] Animation C1 ENERGY= 507.2 kJ/mol
Energy+ZPE= 490.1 kJ/mol ZPE= 0.0430463
CONNECTIONS:
o DDC1311 o DDC1310
[ TS3455 ] Animation C1 ENERGY= 507.8 kJ/mol
Energy+ZPE= 489.4 kJ/mol ZPE= 0.0425228
CONNECTIONS:
o DDC1313 o DDC1312
[ TS3456 ] Animation Cs ENERGY= 509.8 kJ/mol
Energy+ZPE= 487.5 kJ/mol ZPE= 0.0410637
CONNECTIONS:
o DDC1315 o DDC1314
[ TS3457 ] Animation Cs ENERGY= 510.2 kJ/mol
Energy+ZPE= 496.4 kJ/mol ZPE= 0.0442773
CONNECTIONS:
o DDC1317 o DDC1316
[ TS3458 ] Animation C1 ENERGY= 517.7 kJ/mol
Energy+ZPE= 501.3 kJ/mol ZPE= 0.0433058
CONNECTIONS:
o DDC1319 o DDC1318
[ TS3459 ] Animation Cs ENERGY= 521.2 kJ/mol
Energy+ZPE= 506.0 kJ/mol ZPE= 0.0437494
CONNECTIONS:
o DDC1321 o DDC1320
[ TS3460 ] Animation C1 ENERGY= 521.8 kJ/mol
Energy+ZPE= 498.3 kJ/mol ZPE= 0.0406150
CONNECTIONS:
o DDC1323 o DDC1322
[ TS3461 ] Animation Cs ENERGY= 522.5 kJ/mol
Energy+ZPE= 505.0 kJ/mol ZPE= 0.0428772
CONNECTIONS:
o DDC1325 o DDC1324
[ TS3462 ] Animation C1 ENERGY= 527.6 kJ/mol
Energy+ZPE= 506.9 kJ/mol ZPE= 0.0416579
CONNECTIONS:
o DDC1327 o DDC1326
[ TS3463 ] Animation C1 ENERGY= 534.3 kJ/mol
Energy+ZPE= 511.2 kJ/mol ZPE= 0.0407517
CONNECTIONS:
o DDC1329 o DDC1328
[ TS3464 ] Animation C1 ENERGY= 536.3 kJ/mol
Energy+ZPE= 514.4 kJ/mol ZPE= 0.0411870
CONNECTIONS:
o DDC1331 o DDC1330
[ TS3465 ] Animation C1 ENERGY= 543.3 kJ/mol
Energy+ZPE= 517.0 kJ/mol ZPE= 0.0395457
CONNECTIONS:
o DDC1333 o DDC1332
[ TS3466 ] Animation C1 ENERGY= 543.6 kJ/mol
Energy+ZPE= 522.1 kJ/mol ZPE= 0.0413660
CONNECTIONS:
o DDC1335 o DDC1334
[ TS3467 ] Animation C1 ENERGY= 543.9 kJ/mol
Energy+ZPE= 515.7 kJ/mol ZPE= 0.0387979
CONNECTIONS:
o DDC1337 o DDC1336
[ TS3468 ] Animation C1 ENERGY= 548.0 kJ/mol
Energy+ZPE= 516.4 kJ/mol ZPE= 0.0375064
CONNECTIONS:
o DDC1339 o DDC1338
[ TS3469 ] Animation C1 ENERGY= 548.1 kJ/mol
Energy+ZPE= 525.8 kJ/mol ZPE= 0.0410453
CONNECTIONS:
o DDC1341 o DDC1340
[ TS3470 ] Animation C2 ENERGY= 551.7 kJ/mol
Energy+ZPE= 518.7 kJ/mol ZPE= 0.0369750
CONNECTIONS:
o DDC1343 o DDC1342
[ TS3471 ] Animation Cs ENERGY= 559.6 kJ/mol
Energy+ZPE= 539.0 kJ/mol ZPE= 0.0417181
CONNECTIONS:
o DDC1345 o DDC1344
[ TS3472 ] Animation C1 ENERGY= 563.1 kJ/mol
Energy+ZPE= 543.7 kJ/mol ZPE= 0.0421618
CONNECTIONS:
o DDC1347 o DDC1346
[ TS3473 ] Animation C1 ENERGY= 567.8 kJ/mol
Energy+ZPE= 545.5 kJ/mol ZPE= 0.0410568
CONNECTIONS:
o DDC1349 o DDC1348
[ TS3474 ] Animation C1 ENERGY= 568.4 kJ/mol
Energy+ZPE= 539.9 kJ/mol ZPE= 0.0386940
CONNECTIONS:
o DDC1351 o DDC1350
[ TS3475 ] Animation C1 ENERGY= 576.9 kJ/mol
Energy+ZPE= 548.7 kJ/mol ZPE= 0.0388225
CONNECTIONS:
o DDC1353 o DDC1352
[ TS3476 ] Animation C1 ENERGY= 577.3 kJ/mol
Energy+ZPE= 553.6 kJ/mol ZPE= 0.0405369
CONNECTIONS:
o DDC1355 o DDC1354
[ TS3477 ] Animation C1 ENERGY= 580.6 kJ/mol
Energy+ZPE= 555.8 kJ/mol ZPE= 0.0400988
CONNECTIONS:
o DDC1357 o DDC1356
[ TS3478 ] Animation C1 ENERGY= 588.1 kJ/mol
Energy+ZPE= 560.6 kJ/mol ZPE= 0.0390648
CONNECTIONS:
o DDC1359 o DDC1358
[ TS3479 ] Animation C1 ENERGY= 588.2 kJ/mol
Energy+ZPE= 561.9 kJ/mol ZPE= 0.0395251
CONNECTIONS:
o DDC1361 o DDC1360
[ TS3480 ] Animation C1 ENERGY= 588.9 kJ/mol
Energy+ZPE= 570.5 kJ/mol ZPE= 0.0425514
CONNECTIONS:
o DDC1363 o DDC1362
[ TS3481 ] Animation C1 ENERGY= 589.1 kJ/mol
Energy+ZPE= 559.4 kJ/mol ZPE= 0.0382295
CONNECTIONS:
o DDC1365 o DDC1364
[ TS3482 ] Animation C1 ENERGY= 592.9 kJ/mol
Energy+ZPE= 557.4 kJ/mol ZPE= 0.0360265
CONNECTIONS:
o DDC1367 o DDC1366
[ TS3483 ] Animation C1 ENERGY= 594.2 kJ/mol
Energy+ZPE= 573.3 kJ/mol ZPE= 0.0415793
CONNECTIONS:
o DDC1369 o DDC1368
[ TS3484 ] Animation C1 ENERGY= 594.8 kJ/mol
Energy+ZPE= 569.0 kJ/mol ZPE= 0.0397388
CONNECTIONS:
o DDC1371 o DDC1370
[ TS3485 ] Animation Cs ENERGY= 595.2 kJ/mol
Energy+ZPE= 570.2 kJ/mol ZPE= 0.0400258
CONNECTIONS:
o DDC1373 o DDC1372
[ TS3486 ] Animation Cs ENERGY= 601.1 kJ/mol
Energy+ZPE= 557.7 kJ/mol ZPE= 0.0330311
CONNECTIONS:
o DDC1375 o DDC1374
[ TS3487 ] Animation Cs ENERGY= 602.9 kJ/mol
Energy+ZPE= 578.9 kJ/mol ZPE= 0.0404191
CONNECTIONS:
o DDC1377 o DDC1376
[ TS3488 ] Animation C1 ENERGY= 605.2 kJ/mol
Energy+ZPE= 582.3 kJ/mol ZPE= 0.0408205
CONNECTIONS:
o DDC1379 o DDC1378
[ TS3489 ] Animation C1 ENERGY= 606.7 kJ/mol
Energy+ZPE= 586.1 kJ/mol ZPE= 0.0417159
CONNECTIONS:
o DDC1381 o DDC1380
[ TS3490 ] Animation C1 ENERGY= 611.7 kJ/mol
Energy+ZPE= 582.9 kJ/mol ZPE= 0.0385937
CONNECTIONS:
o DDC1383 o DDC1382
[ TS3491 ] Animation C1 ENERGY= 613.2 kJ/mol
Energy+ZPE= 593.5 kJ/mol ZPE= 0.0420326
CONNECTIONS:
o DDC1385 o DDC1384
[ TS3492 ] Animation C1 ENERGY= 613.7 kJ/mol
Energy+ZPE= 590.9 kJ/mol ZPE= 0.0408775
CONNECTIONS:
o DDC1387 o DDC1386
[ TS3493 ] Animation C1 ENERGY= 614.5 kJ/mol
Energy+ZPE= 588.9 kJ/mol ZPE= 0.0397912
CONNECTIONS:
o DDC1389 o DDC1388
[ TS3494 ] Animation C1 ENERGY= 614.6 kJ/mol
Energy+ZPE= 590.0 kJ/mol ZPE= 0.0401800
CONNECTIONS:
o DDC1391 o DDC1390
[ TS3495 ] Animation C1 ENERGY= 614.7 kJ/mol
Energy+ZPE= 585.5 kJ/mol ZPE= 0.0384076
CONNECTIONS:
o DDC1393 o DDC1392
[ TS3496 ] Animation C1 ENERGY= 614.7 kJ/mol
Energy+ZPE= 593.5 kJ/mol ZPE= 0.0414602
CONNECTIONS:
o DDC1395 o DDC1394
[ TS3497 ] Animation C1 ENERGY= 615.1 kJ/mol
Energy+ZPE= 592.7 kJ/mol ZPE= 0.0410126
CONNECTIONS:
o DDC1397 o DDC1396
[ TS3498 ] Animation C1 ENERGY= 616.1 kJ/mol
Energy+ZPE= 594.6 kJ/mol ZPE= 0.0413716
CONNECTIONS:
o DDC1399 o DDC1398
[ TS3499 ] Animation C1 ENERGY= 617.0 kJ/mol
Energy+ZPE= 594.4 kJ/mol ZPE= 0.0409321
CONNECTIONS:
o DDC1401 o DDC1400
[ TS3500 ] Animation C1 ENERGY= 618.1 kJ/mol
Energy+ZPE= 596.7 kJ/mol ZPE= 0.0414137
CONNECTIONS:
o DDC1403 o DDC1402
[ TS3501 ] Animation C1 ENERGY= 619.1 kJ/mol
Energy+ZPE= 601.2 kJ/mol ZPE= 0.0427471
CONNECTIONS:
o DDC1405 o DDC1404
[ TS3502 ] Animation C1 ENERGY= 620.3 kJ/mol
Energy+ZPE= 598.0 kJ/mol ZPE= 0.0410467
CONNECTIONS:
o DDC1407 o DDC1406
[ TS3503 ] Animation C1 ENERGY= 620.4 kJ/mol
Energy+ZPE= 598.9 kJ/mol ZPE= 0.0413452
CONNECTIONS:
o DDC1409 o DDC1408
[ TS3504 ] Animation C1 ENERGY= 621.5 kJ/mol
Energy+ZPE= 596.0 kJ/mol ZPE= 0.0398225
CONNECTIONS:
o DDC1411 o DDC1410
[ TS3505 ] Animation Cs ENERGY= 622.5 kJ/mol
Energy+ZPE= 602.8 kJ/mol ZPE= 0.0420303
CONNECTIONS:
o DDC1413 o DDC1412
[ TS3506 ] Animation Cs ENERGY= 623.6 kJ/mol
Energy+ZPE= 599.2 kJ/mol ZPE= 0.0402497
CONNECTIONS:
o DDC1415 o DDC1414
[ TS3507 ] Animation C1 ENERGY= 624.5 kJ/mol
Energy+ZPE= 601.5 kJ/mol ZPE= 0.0408004
CONNECTIONS:
o DDC1417 o DDC1416
[ TS3508 ] Animation C1 ENERGY= 629.0 kJ/mol
Energy+ZPE= 598.9 kJ/mol ZPE= 0.0380717
CONNECTIONS:
o DDC1419 o DDC1418
[ TS3509 ] Animation C1 ENERGY= 631.5 kJ/mol
Energy+ZPE= 606.6 kJ/mol ZPE= 0.0400666
CONNECTIONS:
o DDC1421 o DDC1420
[ TS3510 ] Animation C1 ENERGY= 632.6 kJ/mol
Energy+ZPE= 617.7 kJ/mol ZPE= 0.0438553
CONNECTIONS:
o DDC1423 o DDC1422
[ TS3511 ] Animation C1 ENERGY= 633.5 kJ/mol
Energy+ZPE= 597.3 kJ/mol ZPE= 0.0357506
CONNECTIONS:
o DDC1425 o DDC1424
[ TS3512 ] Animation C1 ENERGY= 635.0 kJ/mol
Energy+ZPE= 615.4 kJ/mol ZPE= 0.0420906
CONNECTIONS:
o DDC1427 o DDC1426
[ TS3513 ] Animation Cs ENERGY= 635.1 kJ/mol
Energy+ZPE= 600.0 kJ/mol ZPE= 0.0361646
CONNECTIONS:
o DDC1429 o DDC1428
[ TS3514 ] Animation C1 ENERGY= 642.9 kJ/mol
Energy+ZPE= 600.7 kJ/mol ZPE= 0.0334559
CONNECTIONS:
o DDC1431 o DDC1430
[ TS3515 ] Animation C1 ENERGY= 644.0 kJ/mol
Energy+ZPE= 616.8 kJ/mol ZPE= 0.0392045
CONNECTIONS:
o DDC1433 o DDC1432
[ TS3516 ] Animation C1 ENERGY= 646.5 kJ/mol
Energy+ZPE= 603.6 kJ/mol ZPE= 0.0332026
CONNECTIONS:
o DDC1435 o DDC1434
[ TS3517 ] Animation C1 ENERGY= 654.0 kJ/mol
Energy+ZPE= 637.3 kJ/mol ZPE= 0.0431872
CONNECTIONS:
o DDC1437 o DDC1436
[ TS3518 ] Animation C1 ENERGY= 655.8 kJ/mol
Energy+ZPE= 633.8 kJ/mol ZPE= 0.0411749
CONNECTIONS:
o DDC1439 o DDC1438
[ TS3519 ] Animation C1 ENERGY= 662.5 kJ/mol
Energy+ZPE= 627.6 kJ/mol ZPE= 0.0362510
CONNECTIONS:
o DDC1441 o DDC1440
[ TS3520 ] Animation Cs ENERGY= 663.4 kJ/mol
Energy+ZPE= 627.6 kJ/mol ZPE= 0.0359119
CONNECTIONS:
o DDC1443 o DDC1442
[ TS3521 ] Animation C2 ENERGY= 665.4 kJ/mol
Energy+ZPE= 651.3 kJ/mol ZPE= 0.0441608
CONNECTIONS:
o DDC1445 o DDC1444
[ TS3522 ] Animation C1 ENERGY= 665.5 kJ/mol
Energy+ZPE= 645.8 kJ/mol ZPE= 0.0420360
CONNECTIONS:
o DDC1447 o DDC1446
[ TS3523 ] Animation C1 ENERGY= 670.3 kJ/mol
Energy+ZPE= 649.5 kJ/mol ZPE= 0.0416282
CONNECTIONS:
o DDC1449 o DDC1448
[ TS3524 ] Animation C1 ENERGY= 671.0 kJ/mol
Energy+ZPE= 650.5 kJ/mol ZPE= 0.0417556
CONNECTIONS:
o DDC1451 o DDC1450
[ TS3525 ] Animation C1 ENERGY= 671.4 kJ/mol
Energy+ZPE= 642.0 kJ/mol ZPE= 0.0383570
CONNECTIONS:
o DDC1453 o DDC1452
[ TS3526 ] Animation C1 ENERGY= 672.1 kJ/mol
Energy+ZPE= 652.0 kJ/mol ZPE= 0.0418753
CONNECTIONS:
o DDC1455 o DDC1454
[ TS3527 ] Animation C1 ENERGY= 672.4 kJ/mol
Energy+ZPE= 640.8 kJ/mol ZPE= 0.0374987
CONNECTIONS:
o DDC1457 o DDC1456
[ TS3528 ] Animation C1 ENERGY= 672.5 kJ/mol
Energy+ZPE= 648.7 kJ/mol ZPE= 0.0404986
CONNECTIONS:
o DDC1459 o DDC1458
[ TS3529 ] Animation C1 ENERGY= 677.0 kJ/mol
Energy+ZPE= 655.5 kJ/mol ZPE= 0.0413592
CONNECTIONS:
o DDC1461 o DDC1460
[ TS3530 ] Animation C1 ENERGY= 677.2 kJ/mol
Energy+ZPE= 657.9 kJ/mol ZPE= 0.0421872
CONNECTIONS:
o DDC1463 o DDC1462
[ TS3531 ] Animation C1 ENERGY= 677.8 kJ/mol
Energy+ZPE= 645.8 kJ/mol ZPE= 0.0373440
CONNECTIONS:
o DDC1465 o DDC1464
[ TS3532 ] Animation C1 ENERGY= 678.9 kJ/mol
Energy+ZPE= 641.8 kJ/mol ZPE= 0.0354234
CONNECTIONS:
o DDC1467 o DDC1466
[ TS3533 ] Animation C1 ENERGY= 680.4 kJ/mol
Energy+ZPE= 658.4 kJ/mol ZPE= 0.0411529
CONNECTIONS:
o DDC1469 o DDC1468
[ TS3534 ] Animation C1 ENERGY= 680.8 kJ/mol
Energy+ZPE= 659.9 kJ/mol ZPE= 0.0415701
CONNECTIONS:
o DDC1471 o DDC1470
[ TS3535 ] Animation Cs ENERGY= 683.3 kJ/mol
Energy+ZPE= 660.6 kJ/mol ZPE= 0.0409101
CONNECTIONS:
o DDC1473 o DDC1472
[ TS3536 ] Animation C1 ENERGY= 684.2 kJ/mol
Energy+ZPE= 665.4 kJ/mol ZPE= 0.0423753
CONNECTIONS:
o DDC1475 o DDC1474
[ TS3537 ] Animation Cs ENERGY= 685.0 kJ/mol
Energy+ZPE= 663.5 kJ/mol ZPE= 0.0413554
CONNECTIONS:
o DDC1477 o DDC1476
[ TS3538 ] Animation C1 ENERGY= 687.1 kJ/mol
Energy+ZPE= 667.5 kJ/mol ZPE= 0.0420649
CONNECTIONS:
o DDC1479 o DDC1478
[ TS3539 ] Animation Cs ENERGY= 688.0 kJ/mol
Energy+ZPE= 665.3 kJ/mol ZPE= 0.0409195
CONNECTIONS:
o DDC1481 o DDC1480
[ TS3540 ] Animation C1 ENERGY= 689.0 kJ/mol
Energy+ZPE= 665.6 kJ/mol ZPE= 0.0406434
CONNECTIONS:
o DDC1483 o DDC1482
[ TS3541 ] Animation C1 ENERGY= 690.5 kJ/mol
Energy+ZPE= 662.6 kJ/mol ZPE= 0.0389238
CONNECTIONS:
o DDC1485 o DDC1484
[ TS3542 ] Animation C1 ENERGY= 692.1 kJ/mol
Energy+ZPE= 668.4 kJ/mol ZPE= 0.0405363
CONNECTIONS:
o DDC1487 o DDC1486
[ TS3543 ] Animation C1 ENERGY= 693.1 kJ/mol
Energy+ZPE= 672.0 kJ/mol ZPE= 0.0414925
CONNECTIONS:
o DDC1489 o DDC1488
[ TS3544 ] Animation C1 ENERGY= 693.2 kJ/mol
Energy+ZPE= 676.8 kJ/mol ZPE= 0.0433030
CONNECTIONS:
o DDC1491 o DDC1490
[ TS3545 ] Animation C1 ENERGY= 693.4 kJ/mol
Energy+ZPE= 676.9 kJ/mol ZPE= 0.0432815
CONNECTIONS:
o DDC1493 o DDC1492
[ TS3546 ] Animation C1 ENERGY= 695.4 kJ/mol
Energy+ZPE= 666.5 kJ/mol ZPE= 0.0385495
CONNECTIONS:
o DDC1495 o DDC1494
[ TS3547 ] Animation C1 ENERGY= 695.9 kJ/mol
Energy+ZPE= 679.9 kJ/mol ZPE= 0.0434369
CONNECTIONS:
o DDC1497 o DDC1496
[ TS3548 ] Animation C1 ENERGY= 697.7 kJ/mol
Energy+ZPE= 673.9 kJ/mol ZPE= 0.0404826
CONNECTIONS:
o DDC1499 o DDC1498
[ TS3549 ] Animation C2v ENERGY= 697.9 kJ/mol
Energy+ZPE= 669.5 kJ/mol ZPE= 0.0387186
CONNECTIONS:
o DDC1501 o DDC1500
[ TS3550 ] Animation C1 ENERGY= 698.7 kJ/mol
Energy+ZPE= 679.9 kJ/mol ZPE= 0.0423977
CONNECTIONS:
o DDC1503 o DDC1502
[ TS3551 ] Animation C1 ENERGY= 698.9 kJ/mol
Energy+ZPE= 670.6 kJ/mol ZPE= 0.0387846
CONNECTIONS:
o DDC1505 o DDC1504
[ TS3552 ] Animation Cs ENERGY= 698.9 kJ/mol
Energy+ZPE= 684.0 kJ/mol ZPE= 0.0438686
CONNECTIONS:
o DDC1507 o DDC1506
[ TS3553 ] Animation Cs ENERGY= 700.0 kJ/mol
Energy+ZPE= 679.7 kJ/mol ZPE= 0.0417979
CONNECTIONS:
o DDC1509 o DDC1508
[ TS3554 ] Animation C1 ENERGY= 700.2 kJ/mol
Energy+ZPE= 677.4 kJ/mol ZPE= 0.0408651
CONNECTIONS:
o DDC1511 o DDC1510
[ TS3555 ] Animation C1 ENERGY= 702.1 kJ/mol
Energy+ZPE= 681.3 kJ/mol ZPE= 0.0416185
CONNECTIONS:
o DDC1513 o DDC1512
[ TS3556 ] Animation C1 ENERGY= 702.9 kJ/mol
Energy+ZPE= 683.2 kJ/mol ZPE= 0.0420493
CONNECTIONS:
o DDC1515 o DDC1514
[ TS3557 ] Animation C1 ENERGY= 703.8 kJ/mol
Energy+ZPE= 684.9 kJ/mol ZPE= 0.0423384
CONNECTIONS:
o DDC1517 o DDC1516
[ TS3558 ] Animation C1 ENERGY= 707.1 kJ/mol
Energy+ZPE= 686.8 kJ/mol ZPE= 0.0418018
CONNECTIONS:
o DDC1519 o DDC1518
[ TS3559 ] Animation C1 ENERGY= 707.3 kJ/mol
Energy+ZPE= 691.0 kJ/mol ZPE= 0.0433280
CONNECTIONS:
o DDC1521 o DDC1520
[ TS3560 ] Animation C1 ENERGY= 708.0 kJ/mol
Energy+ZPE= 686.8 kJ/mol ZPE= 0.0414553
CONNECTIONS:
o DDC1523 o DDC1522
[ TS3561 ] Animation C1 ENERGY= 708.1 kJ/mol
Energy+ZPE= 689.9 kJ/mol ZPE= 0.0425964
CONNECTIONS:
o DDC1525 o DDC1524
[ TS3562 ] Animation Cs ENERGY= 709.8 kJ/mol
Energy+ZPE= 686.0 kJ/mol ZPE= 0.0405007
CONNECTIONS:
o DDC1527 o DDC1526
[ TS3563 ] Animation C1 ENERGY= 710.0 kJ/mol
Energy+ZPE= 687.5 kJ/mol ZPE= 0.0409828
CONNECTIONS:
o DDC1529 o DDC1528
[ TS3564 ] Animation C1 ENERGY= 711.1 kJ/mol
Energy+ZPE= 683.5 kJ/mol ZPE= 0.0390204
CONNECTIONS:
o DDC1531 o DDC1530
[ TS3565 ] Animation C1 ENERGY= 711.9 kJ/mol
Energy+ZPE= 692.5 kJ/mol ZPE= 0.0421746
CONNECTIONS:
o DDC1533 o DDC1532
[ TS3566 ] Animation C1 ENERGY= 714.7 kJ/mol
Energy+ZPE= 689.0 kJ/mol ZPE= 0.0397461
CONNECTIONS:
o DDC1535 o DDC1534
[ TS3567 ] Animation C1 ENERGY= 715.2 kJ/mol
Energy+ZPE= 693.0 kJ/mol ZPE= 0.0410835
CONNECTIONS:
o DDC1537 o DDC1536
[ TS3568 ] Animation C1 ENERGY= 716.0 kJ/mol
Energy+ZPE= 695.8 kJ/mol ZPE= 0.0418387
CONNECTIONS:
o DDC1539 o DDC1538
[ TS3569 ] Animation C1 ENERGY= 717.4 kJ/mol
Energy+ZPE= 685.3 kJ/mol ZPE= 0.0373293
CONNECTIONS:
o DDC1541 o DDC1540
[ TS3570 ] Animation C1 ENERGY= 718.8 kJ/mol
Energy+ZPE= 699.6 kJ/mol ZPE= 0.0422447
CONNECTIONS:
o DDC1543 o DDC1542
[ TS3571 ] Animation C1 ENERGY= 719.0 kJ/mol
Energy+ZPE= 696.1 kJ/mol ZPE= 0.0408121
CONNECTIONS:
o DDC1545 o DDC1544
[ TS3572 ] Animation C1 ENERGY= 722.5 kJ/mol
Energy+ZPE= 698.2 kJ/mol ZPE= 0.0402886
CONNECTIONS:
o DDC1547 o DDC1546
[ TS3573 ] Animation C1 ENERGY= 722.8 kJ/mol
Energy+ZPE= 699.6 kJ/mol ZPE= 0.0407098
CONNECTIONS:
o DDC1549 o DDC1548
[ TS3574 ] Animation Cs ENERGY= 723.4 kJ/mol
Energy+ZPE= 697.2 kJ/mol ZPE= 0.0395793
CONNECTIONS:
o DDC1551 o DDC1550
[ TS3575 ] Animation C1 ENERGY= 723.6 kJ/mol
Energy+ZPE= 701.6 kJ/mol ZPE= 0.0411508
CONNECTIONS:
o DDC1553 o DDC1552
[ TS3576 ] Animation C1 ENERGY= 724.7 kJ/mol
Energy+ZPE= 702.7 kJ/mol ZPE= 0.0411738
CONNECTIONS:
o DDC1555 o DDC1554
[ TS3577 ] Animation C1 ENERGY= 731.2 kJ/mol
Energy+ZPE= 703.4 kJ/mol ZPE= 0.0389426
CONNECTIONS:
o DDC1557 o DDC1556
[ TS3578 ] Animation C1 ENERGY= 733.3 kJ/mol
Energy+ZPE= 716.8 kJ/mol ZPE= 0.0432531
CONNECTIONS:
o DDC1559 o DDC1558
[ TS3579 ] Animation C1 ENERGY= 733.3 kJ/mol
Energy+ZPE= 705.0 kJ/mol ZPE= 0.0387565
CONNECTIONS:
o DDC1561 o DDC1560
[ TS3580 ] Animation C1 ENERGY= 733.6 kJ/mol
Energy+ZPE= 711.1 kJ/mol ZPE= 0.0409614
CONNECTIONS:
o DDC1563 o DDC1562
[ TS3581 ] Animation C1 ENERGY= 733.8 kJ/mol
Energy+ZPE= 714.7 kJ/mol ZPE= 0.0422629
CONNECTIONS:
o DDC1565 o DDC1564
[ TS3582 ] Animation C1 ENERGY= 736.8 kJ/mol
Energy+ZPE= 712.2 kJ/mol ZPE= 0.0401734
CONNECTIONS:
o DDC1567 o DDC1566
[ TS3583 ] Animation C1 ENERGY= 736.9 kJ/mol
Energy+ZPE= 711.9 kJ/mol ZPE= 0.0400395
CONNECTIONS:
o DDC1569 o DDC1568
[ TS3584 ] Animation C1 ENERGY= 737.0 kJ/mol
Energy+ZPE= 706.5 kJ/mol ZPE= 0.0379336
CONNECTIONS:
o DDC1571 o DDC1570
[ TS3585 ] Animation Cs ENERGY= 739.1 kJ/mol
Energy+ZPE= 712.8 kJ/mol ZPE= 0.0395320
CONNECTIONS:
o DDC1573 o DDC1572
[ TS3586 ] Animation Cs ENERGY= 739.5 kJ/mol
Energy+ZPE= 720.2 kJ/mol ZPE= 0.0422056
CONNECTIONS:
o DDC1575 o DDC1574
[ TS3587 ] Animation C1 ENERGY= 739.7 kJ/mol
Energy+ZPE= 719.3 kJ/mol ZPE= 0.0417756
CONNECTIONS:
o DDC1577 o DDC1576
[ TS3588 ] Animation C1 ENERGY= 739.7 kJ/mol
Energy+ZPE= 717.6 kJ/mol ZPE= 0.0411469
CONNECTIONS:
o DDC1579 o DDC1578
[ TS3589 ] Animation C1 ENERGY= 739.8 kJ/mol
Energy+ZPE= 715.5 kJ/mol ZPE= 0.0402986
CONNECTIONS:
o DDC1581 o DDC1580
[ TS3590 ] Animation C1 ENERGY= 741.1 kJ/mol
Energy+ZPE= 716.8 kJ/mol ZPE= 0.0402744
CONNECTIONS:
o DDC1583 o DDC1582
[ TS3591 ] Animation C1 ENERGY= 741.5 kJ/mol
Energy+ZPE= 708.6 kJ/mol ZPE= 0.0370336
CONNECTIONS:
o DDC1585 o DDC1584
[ TS3592 ] Animation C1 ENERGY= 742.1 kJ/mol
Energy+ZPE= 722.6 kJ/mol ZPE= 0.0421386
CONNECTIONS:
o DDC1587 o DDC1586
[ TS3593 ] Animation C1 ENERGY= 743.6 kJ/mol
Energy+ZPE= 712.0 kJ/mol ZPE= 0.0375141
CONNECTIONS:
o DDC1589 o DDC1588
[ TS3594 ] Animation C1 ENERGY= 743.7 kJ/mol
Energy+ZPE= 721.5 kJ/mol ZPE= 0.0410862
CONNECTIONS:
o DDC1591 o DDC1590
[ TS3595 ] Animation C1 ENERGY= 744.4 kJ/mol
Energy+ZPE= 715.3 kJ/mol ZPE= 0.0384716
CONNECTIONS:
o DDC1593 o DDC1592
[ TS3596 ] Animation C1 ENERGY= 745.2 kJ/mol
Energy+ZPE= 728.1 kJ/mol ZPE= 0.0430447
CONNECTIONS:
o DDC1595 o DDC1594
[ TS3597 ] Animation C1 ENERGY= 745.7 kJ/mol
Energy+ZPE= 705.9 kJ/mol ZPE= 0.0343971
CONNECTIONS:
o DDC1597 o DDC1596
[ TS3598 ] Animation C1 ENERGY= 745.8 kJ/mol
Energy+ZPE= 717.9 kJ/mol ZPE= 0.0389380
CONNECTIONS:
o DDC1599 o DDC1598
[ TS3599 ] Animation C1 ENERGY= 746.2 kJ/mol
Energy+ZPE= 720.4 kJ/mol ZPE= 0.0397183
CONNECTIONS:
o DDC1601 o DDC1600
[ TS3600 ] Animation C1 ENERGY= 746.8 kJ/mol
Energy+ZPE= 727.7 kJ/mol ZPE= 0.0422537
CONNECTIONS:
o DDC1603 o DDC1602
[ TS3601 ] Animation C1 ENERGY= 748.1 kJ/mol
Energy+ZPE= 718.1 kJ/mol ZPE= 0.0381063
CONNECTIONS:
o DDC1605 o DDC1604
[ TS3602 ] Animation C1 ENERGY= 749.0 kJ/mol
Energy+ZPE= 732.8 kJ/mol ZPE= 0.0433643
CONNECTIONS:
o DDC1607 o DDC1606
[ TS3603 ] Animation C1 ENERGY= 749.0 kJ/mol
Energy+ZPE= 725.6 kJ/mol ZPE= 0.0406426
CONNECTIONS:
o DDC1609 o DDC1608
[ TS3604 ] Animation C1 ENERGY= 750.4 kJ/mol
Energy+ZPE= 731.6 kJ/mol ZPE= 0.0423782
CONNECTIONS:
o DDC1611 o DDC1610
[ TS3605 ] Animation C1 ENERGY= 751.0 kJ/mol
Energy+ZPE= 718.7 kJ/mol ZPE= 0.0372395
CONNECTIONS:
o DDC1613 o DDC1612
[ TS3606 ] Animation C1 ENERGY= 755.1 kJ/mol
Energy+ZPE= 727.1 kJ/mol ZPE= 0.0388827
CONNECTIONS:
o DDC1615 o DDC1614
[ TS3607 ] Animation C1 ENERGY= 756.7 kJ/mol
Energy+ZPE= 736.7 kJ/mol ZPE= 0.0419114
CONNECTIONS:
o DDC1617 o DDC1616
[ TS3608 ] Animation C1 ENERGY= 758.9 kJ/mol
Energy+ZPE= 743.3 kJ/mol ZPE= 0.0436071
CONNECTIONS:
o DDC1619 o DDC1618
[ TS3609 ] Animation C1 ENERGY= 763.0 kJ/mol
Energy+ZPE= 746.4 kJ/mol ZPE= 0.0432128
CONNECTIONS:
o DDC1621 o DDC1620
[ TS3610 ] Animation C1 ENERGY= 764.0 kJ/mol
Energy+ZPE= 746.9 kJ/mol ZPE= 0.0430402
CONNECTIONS:
o DDC1623 o DDC1622
[ TS3611 ] Animation C1 ENERGY= 765.0 kJ/mol
Energy+ZPE= 739.9 kJ/mol ZPE= 0.0399947
CONNECTIONS:
o DDC1625 o DDC1624
[ TS3612 ] Animation C1 ENERGY= 766.9 kJ/mol
Energy+ZPE= 739.8 kJ/mol ZPE= 0.0392363
CONNECTIONS:
o DDC1627 o DDC1626
[ TS3613 ] Animation C1 ENERGY= 768.3 kJ/mol
Energy+ZPE= 742.0 kJ/mol ZPE= 0.0395124
CONNECTIONS:
o DDC1629 o DDC1628
[ TS3614 ] Animation C1 ENERGY= 768.8 kJ/mol
Energy+ZPE= 738.9 kJ/mol ZPE= 0.0381654
CONNECTIONS:
o DDC1631 o DDC1630
[ TS3615 ] Animation C1 ENERGY= 773.4 kJ/mol
Energy+ZPE= 745.5 kJ/mol ZPE= 0.0389040
CONNECTIONS:
o DDC1633 o DDC1632
[ TS3616 ] Animation C1 ENERGY= 774.1 kJ/mol
Energy+ZPE= 747.9 kJ/mol ZPE= 0.0395552
CONNECTIONS:
o DDC1635 o DDC1634
[ TS3617 ] Animation C1 ENERGY= 776.5 kJ/mol
Energy+ZPE= 753.1 kJ/mol ZPE= 0.0406410
CONNECTIONS:
o DDC1637 o DDC1636
[ TS3618 ] Animation Cs ENERGY= 776.9 kJ/mol
Energy+ZPE= 752.2 kJ/mol ZPE= 0.0401521
CONNECTIONS:
o DDC1639 o DDC1638
[ TS3619 ] Animation C1 ENERGY= 777.2 kJ/mol
Energy+ZPE= 756.8 kJ/mol ZPE= 0.0417952
CONNECTIONS:
o DDC1641 o DDC1640
[ TS3620 ] Animation C1 ENERGY= 779.1 kJ/mol
Energy+ZPE= 747.6 kJ/mol ZPE= 0.0375339
CONNECTIONS:
o DDC1643 o DDC1642
[ TS3621 ] Animation C1 ENERGY= 779.3 kJ/mol
Energy+ZPE= 750.5 kJ/mol ZPE= 0.0385695
CONNECTIONS:
o DDC1645 o DDC1644
[ TS3622 ] Animation C1 ENERGY= 782.3 kJ/mol
Energy+ZPE= 758.5 kJ/mol ZPE= 0.0404983
CONNECTIONS:
o DDC1647 o DDC1646
[ TS3623 ] Animation Cs ENERGY= 791.6 kJ/mol
Energy+ZPE= 772.3 kJ/mol ZPE= 0.0422065
CONNECTIONS:
o DDC1649 o DDC1648
[ TS3624 ] Animation C1 ENERGY= 792.7 kJ/mol
Energy+ZPE= 761.6 kJ/mol ZPE= 0.0377155
CONNECTIONS:
o DDC1651 o DDC1650
[ TS3625 ] Animation C1 ENERGY= 793.5 kJ/mol
Energy+ZPE= 771.0 kJ/mol ZPE= 0.0409586
CONNECTIONS:
o DDC1653 o DDC1652
[ TS3626 ] Animation C1 ENERGY= 795.9 kJ/mol
Energy+ZPE= 771.0 kJ/mol ZPE= 0.0400663
CONNECTIONS:
o DDC1655 o DDC1654
[ TS3627 ] Animation C1 ENERGY= 799.5 kJ/mol
Energy+ZPE= 775.7 kJ/mol ZPE= 0.0404766
CONNECTIONS:
o DDC1657 o DDC1656
[ TS3628 ] Animation C1 ENERGY= 802.4 kJ/mol
Energy+ZPE= 756.3 kJ/mol ZPE= 0.0319801
CONNECTIONS:
o DDC1659 o DDC1658
[ TS3629 ] Animation C1 ENERGY= 807.5 kJ/mol
Energy+ZPE= 778.1 kJ/mol ZPE= 0.0383595
CONNECTIONS:
o DDC1661 o DDC1660
[ TS3630 ] Animation C1 ENERGY= 809.6 kJ/mol
Energy+ZPE= 775.1 kJ/mol ZPE= 0.0364212
CONNECTIONS:
o DDC1663 o DDC1662
[ TS3631 ] Animation C1 ENERGY= 812.6 kJ/mol
Energy+ZPE= 779.0 kJ/mol ZPE= 0.0367525
CONNECTIONS:
o DDC1665 o DDC1664
[ TS3632 ] Animation C1 ENERGY= 814.6 kJ/mol
Energy+ZPE= 799.2 kJ/mol ZPE= 0.0436732
CONNECTIONS:
o DDC1667 o DDC1666
[ TS3633 ] Animation C1 ENERGY= 815.7 kJ/mol
Energy+ZPE= 775.1 kJ/mol ZPE= 0.0340715
CONNECTIONS:
o DDC1669 o DDC1668
[ TS3634 ] Animation C1 ENERGY= 815.8 kJ/mol
Energy+ZPE= 797.8 kJ/mol ZPE= 0.0426952
CONNECTIONS:
o DDC1671 o DDC1670
[ TS3635 ] Animation C1 ENERGY= 816.7 kJ/mol
Energy+ZPE= 782.0 kJ/mol ZPE= 0.0363422
CONNECTIONS:
o DDC1673 o DDC1672
[ TS3636 ] Animation C1 ENERGY= 816.9 kJ/mol
Energy+ZPE= 792.5 kJ/mol ZPE= 0.0402349
CONNECTIONS:
o DDC1675 o DDC1674
[ TS3637 ] Animation Cs ENERGY= 822.5 kJ/mol
Energy+ZPE= 799.9 kJ/mol ZPE= 0.0409332
CONNECTIONS:
o DDC1677 o DDC1676
[ TS3638 ] Animation C1 ENERGY= 822.7 kJ/mol
Energy+ZPE= 801.6 kJ/mol ZPE= 0.0415218
CONNECTIONS:
o DDC1679 o DDC1678
[ TS3639 ] Animation C1 ENERGY= 823.4 kJ/mol
Energy+ZPE= 799.0 kJ/mol ZPE= 0.0402697
CONNECTIONS:
o DDC1681 o DDC1680
[ TS3640 ] Animation C1 ENERGY= 829.4 kJ/mol
Energy+ZPE= 807.1 kJ/mol ZPE= 0.0410392
CONNECTIONS:
o DDC1683 o DDC1682
[ TS3641 ] Animation C1 ENERGY= 829.7 kJ/mol
Energy+ZPE= 802.9 kJ/mol ZPE= 0.0393371
CONNECTIONS:
o DDC1685 o DDC1684
[ TS3642 ] Animation C1 ENERGY= 834.2 kJ/mol
Energy+ZPE= 801.7 kJ/mol ZPE= 0.0371844
CONNECTIONS:
o DDC1687 o DDC1686
[ TS3643 ] Animation C1 ENERGY= 837.9 kJ/mol
Energy+ZPE= 812.1 kJ/mol ZPE= 0.0397257
CONNECTIONS:
o DDC1689 o DDC1688
[ TS3644 ] Animation C1 ENERGY= 848.1 kJ/mol
Energy+ZPE= 825.8 kJ/mol ZPE= 0.0410526
CONNECTIONS:
o DDC1691 o DDC1690
[ TS3645 ] Animation C1 ENERGY= 848.8 kJ/mol
Energy+ZPE= 821.4 kJ/mol ZPE= 0.0391284
CONNECTIONS:
o DDC1693 o DDC1692
[ TS3646 ] Animation C1 ENERGY= 849.3 kJ/mol
Energy+ZPE= 829.9 kJ/mol ZPE= 0.0421720
CONNECTIONS:
o DDC1695 o DDC1694
[ TS3647 ] Animation C1 ENERGY= 849.7 kJ/mol
Energy+ZPE= 830.3 kJ/mol ZPE= 0.0421760
CONNECTIONS:
o DDC1697 o DDC1696
[ TS3648 ] Animation C1 ENERGY= 850.3 kJ/mol
Energy+ZPE= 831.1 kJ/mol ZPE= 0.0422277
CONNECTIONS:
o DDC1699 o DDC1698
[ TS3649 ] Animation C1 ENERGY= 851.5 kJ/mol
Energy+ZPE= 827.0 kJ/mol ZPE= 0.0402281
CONNECTIONS:
o DDC1701 o DDC1700
[ TS3650 ] Animation C1 ENERGY= 851.8 kJ/mol
Energy+ZPE= 814.4 kJ/mol ZPE= 0.0353149
CONNECTIONS:
o DDC1703 o DDC1702
[ TS3651 ] Animation C1 ENERGY= 853.2 kJ/mol
Energy+ZPE= 832.2 kJ/mol ZPE= 0.0415446
CONNECTIONS:
o DDC1705 o DDC1704
[ TS3652 ] Animation Cs ENERGY= 854.1 kJ/mol
Energy+ZPE= 831.2 kJ/mol ZPE= 0.0408341
CONNECTIONS:
o DDC1707 o DDC1706
[ TS3653 ] Animation C1 ENERGY= 854.4 kJ/mol
Energy+ZPE= 814.1 kJ/mol ZPE= 0.0341992
CONNECTIONS:
o DDC1709 o DDC1708
[ TS3654 ] Animation C1 ENERGY= 854.8 kJ/mol
Energy+ZPE= 815.0 kJ/mol ZPE= 0.0343962
CONNECTIONS:
o DDC1711 o DDC1710
[ TS3655 ] Animation C1 ENERGY= 863.9 kJ/mol
Energy+ZPE= 840.4 kJ/mol ZPE= 0.0406007
CONNECTIONS:
o DDC1713 o DDC1712
[ TS3656 ] Animation C1 ENERGY= 864.1 kJ/mol
Energy+ZPE= 840.2 kJ/mol ZPE= 0.0404353
CONNECTIONS:
o DDC1715 o DDC1714
[ TS3657 ] Animation C1 ENERGY= 864.9 kJ/mol
Energy+ZPE= 848.1 kJ/mol ZPE= 0.0431482
CONNECTIONS:
o DDC1717 o DDC1716
[ TS3658 ] Animation C1 ENERGY= 865.1 kJ/mol
Energy+ZPE= 835.7 kJ/mol ZPE= 0.0383333
CONNECTIONS:
o DDC1719 o DDC1718
[ TS3659 ] Animation C1 ENERGY= 866.4 kJ/mol
Energy+ZPE= 847.0 kJ/mol ZPE= 0.0421562
CONNECTIONS:
o DDC1721 o DDC1720
[ TS3660 ] Animation C1 ENERGY= 866.7 kJ/mol
Energy+ZPE= 832.5 kJ/mol ZPE= 0.0365244
CONNECTIONS:
o DDC1723 o DDC1722
[ TS3661 ] Animation C1 ENERGY= 867.0 kJ/mol
Energy+ZPE= 845.2 kJ/mol ZPE= 0.0412584
CONNECTIONS:
o DDC1725 o DDC1724
[ TS3662 ] Animation C1 ENERGY= 867.6 kJ/mol
Energy+ZPE= 841.2 kJ/mol ZPE= 0.0394800
CONNECTIONS:
o DDC1727 o DDC1726
[ TS3663 ] Animation C1 ENERGY= 869.6 kJ/mol
Energy+ZPE= 842.1 kJ/mol ZPE= 0.0390667
CONNECTIONS:
o DDC1729 o DDC1728
[ TS3664 ] Animation C1 ENERGY= 875.7 kJ/mol
Energy+ZPE= 856.5 kJ/mol ZPE= 0.0422254
CONNECTIONS:
o DDC1731 o DDC1730
[ TS3665 ] Animation Cs ENERGY= 879.9 kJ/mol
Energy+ZPE= 854.9 kJ/mol ZPE= 0.0400440
CONNECTIONS:
o DDC1733 o DDC1732
[ TS3666 ] Animation C1 ENERGY= 882.9 kJ/mol
Energy+ZPE= 863.1 kJ/mol ZPE= 0.0419971
CONNECTIONS:
o DDC1735 o DDC1734
[ TS3667 ] Animation Cs ENERGY= 887.7 kJ/mol
Energy+ZPE= 865.5 kJ/mol ZPE= 0.0410962
CONNECTIONS:
o DDC1737 o DDC1736
[ TS3668 ] Animation C1 ENERGY= 888.8 kJ/mol
Energy+ZPE= 866.9 kJ/mol ZPE= 0.0412057
CONNECTIONS:
o DDC1739 o DDC1738
[ TS3669 ] Animation C1 ENERGY= 891.3 kJ/mol
Energy+ZPE= 859.8 kJ/mol ZPE= 0.0375374
CONNECTIONS:
o DDC1741 o DDC1740
[ TS3670 ] Animation C1 ENERGY= 894.0 kJ/mol
Energy+ZPE= 869.4 kJ/mol ZPE= 0.0401767
CONNECTIONS:
o DDC1743 o DDC1742
[ TS3671 ] Animation C1 ENERGY= 896.5 kJ/mol
Energy+ZPE= 876.3 kJ/mol ZPE= 0.0418700
CONNECTIONS:
o DDC1745 o DDC1744
[ TS3672 ] Animation C1 ENERGY= 896.9 kJ/mol
Energy+ZPE= 875.7 kJ/mol ZPE= 0.0414847
CONNECTIONS:
o DDC1747 o DDC1746
[ TS3673 ] Animation C1 ENERGY= 897.1 kJ/mol
Energy+ZPE= 871.0 kJ/mol ZPE= 0.0396248
CONNECTIONS:
o DDC1749 o DDC1748
[ TS3674 ] Animation C1 ENERGY= 898.1 kJ/mol
Energy+ZPE= 876.0 kJ/mol ZPE= 0.0411461
CONNECTIONS:
o DDC1751 o DDC1750
[ TS3675 ] Animation C1 ENERGY= 898.8 kJ/mol
Energy+ZPE= 876.7 kJ/mol ZPE= 0.0411374
CONNECTIONS:
o DDC1753 o DDC1752
[ TS3676 ] Animation C1 ENERGY= 900.2 kJ/mol
Energy+ZPE= 863.9 kJ/mol ZPE= 0.0357101
CONNECTIONS:
o DDC1755 o DDC1754
[ TS3677 ] Animation C1 ENERGY= 905.7 kJ/mol
Energy+ZPE= 871.8 kJ/mol ZPE= 0.0366243
CONNECTIONS:
o DDC1757 o DDC1756
[ TS3678 ] Animation C1 ENERGY= 906.5 kJ/mol
Energy+ZPE= 881.5 kJ/mol ZPE= 0.0400430
CONNECTIONS:
o DDC1759 o DDC1758
[ TS3679 ] Animation C1 ENERGY= 907.9 kJ/mol
Energy+ZPE= 881.4 kJ/mol ZPE= 0.0394662
CONNECTIONS:
o DDC1761 o DDC1760
[ TS3680 ] Animation C1 ENERGY= 908.1 kJ/mol
Energy+ZPE= 882.5 kJ/mol ZPE= 0.0398071
CONNECTIONS:
o DDC1763 o DDC1762
[ TS3681 ] Animation C1 ENERGY= 910.2 kJ/mol
Energy+ZPE= 889.7 kJ/mol ZPE= 0.0417205
CONNECTIONS:
o DDC1765 o DDC1764
[ TS3682 ] Animation C1 ENERGY= 910.8 kJ/mol
Energy+ZPE= 896.0 kJ/mol ZPE= 0.0439208
CONNECTIONS:
o DDC1767 o DDC1766
[ TS3683 ] Animation C1 ENERGY= 917.6 kJ/mol
Energy+ZPE= 901.7 kJ/mol ZPE= 0.0434730
CONNECTIONS:
o DDC1769 o DDC1768
[ TS3684 ] Animation C1 ENERGY= 918.1 kJ/mol
Energy+ZPE= 902.6 kJ/mol ZPE= 0.0436606
CONNECTIONS:
o DDC1771 o DDC1770
[ TS3685 ] Animation C1 ENERGY= 918.8 kJ/mol
Energy+ZPE= 891.7 kJ/mol ZPE= 0.0392180
CONNECTIONS:
o DDC1773 o DDC1772
[ TS3686 ] Animation Cs ENERGY= 926.4 kJ/mol
Energy+ZPE= 897.9 kJ/mol ZPE= 0.0386996
CONNECTIONS:
o DDC1775 o DDC1774
[ TS3687 ] Animation C1 ENERGY= 927.5 kJ/mol
Energy+ZPE= 901.5 kJ/mol ZPE= 0.0396298
CONNECTIONS:
o DDC1777 o DDC1776
[ TS3688 ] Animation C1 ENERGY= 928.0 kJ/mol
Energy+ZPE= 905.9 kJ/mol ZPE= 0.0411293
CONNECTIONS:
o DDC1779 o DDC1778
[ TS3689 ] Animation C1 ENERGY= 928.4 kJ/mol
Energy+ZPE= 901.1 kJ/mol ZPE= 0.0391614
CONNECTIONS:
o DDC1781 o DDC1780
[ TS3690 ] Animation C1 ENERGY= 928.8 kJ/mol
Energy+ZPE= 909.9 kJ/mol ZPE= 0.0423373
CONNECTIONS:
o DDC1783 o DDC1782
[ TS3691 ] Animation C1 ENERGY= 932.6 kJ/mol
Energy+ZPE= 900.8 kJ/mol ZPE= 0.0374181
CONNECTIONS:
o DDC1785 o DDC1784
[ TS3692 ] Animation C1 ENERGY= 932.6 kJ/mol
Energy+ZPE= 909.7 kJ/mol ZPE= 0.0408165
CONNECTIONS:
o DDC1787 o DDC1786
[ TS3693 ] Animation C1 ENERGY= 937.8 kJ/mol
Energy+ZPE= 904.4 kJ/mol ZPE= 0.0368349
CONNECTIONS:
o DDC1789 o DDC1788
[ TS3694 ] Animation C1 ENERGY= 942.0 kJ/mol
Energy+ZPE= 918.3 kJ/mol ZPE= 0.0405383
CONNECTIONS:
o DDC1791 o DDC1790
[ TS3695 ] Animation C1 ENERGY= 942.9 kJ/mol
Energy+ZPE= 926.2 kJ/mol ZPE= 0.0431735
CONNECTIONS:
o DDC1793 o DDC1792
[ TS3696 ] Animation C1 ENERGY= 944.6 kJ/mol
Energy+ZPE= 917.5 kJ/mol ZPE= 0.0392412
CONNECTIONS:
o DDC1795 o DDC1794
[ TS3697 ] Animation C1 ENERGY= 948.5 kJ/mol
Energy+ZPE= 923.4 kJ/mol ZPE= 0.0399846
CONNECTIONS:
o DDC1797 o DDC1796
[ TS3698 ] Animation C1 ENERGY= 949.3 kJ/mol
Energy+ZPE= 928.6 kJ/mol ZPE= 0.0416576
CONNECTIONS:
o DDC1799 o DDC1798
[ TS3699 ] Animation C1 ENERGY= 953.2 kJ/mol
Energy+ZPE= 930.8 kJ/mol ZPE= 0.0409979
CONNECTIONS:
o DDC1801 o DDC1800
[ TS3700 ] Animation C1 ENERGY= 954.5 kJ/mol
Energy+ZPE= 926.5 kJ/mol ZPE= 0.0388741
CONNECTIONS:
o DDC1803 o DDC1802
[ TS3701 ] Animation C1 ENERGY= 968.5 kJ/mol
Energy+ZPE= 941.4 kJ/mol ZPE= 0.0392255
CONNECTIONS:
o DDC1805 o DDC1804
[ TS3702 ] Animation Cs ENERGY= 968.6 kJ/mol
Energy+ZPE= 951.2 kJ/mol ZPE= 0.0429276
CONNECTIONS:
o DDC1807 o DDC1806
[ TS3703 ] Animation C1 ENERGY= 969.3 kJ/mol
Energy+ZPE= 945.5 kJ/mol ZPE= 0.0404929
CONNECTIONS:
o DDC1809 o DDC1808
[ TS3704 ] Animation C1 ENERGY= 974.1 kJ/mol
Energy+ZPE= 947.6 kJ/mol ZPE= 0.0394560
CONNECTIONS:
o DDC1811 o DDC1810
[ TS3705 ] Animation C1 ENERGY= 977.2 kJ/mol
Energy+ZPE= 958.5 kJ/mol ZPE= 0.0424068
CONNECTIONS:
o DDC1813 o DDC1812
[ TS3706 ] Animation Cs ENERGY= 977.6 kJ/mol
Energy+ZPE= 957.3 kJ/mol ZPE= 0.0418132
CONNECTIONS:
o DDC1815 o DDC1814
[ TS3707 ] Animation C1 ENERGY= 979.5 kJ/mol
Energy+ZPE= 955.1 kJ/mol ZPE= 0.0402614
CONNECTIONS:
o DDC1817 o DDC1816
[ TS3708 ] Animation C1 ENERGY= 982.2 kJ/mol
Energy+ZPE= 951.0 kJ/mol ZPE= 0.0376575
CONNECTIONS:
o DDC1819 o DDC1818
[ TS3709 ] Animation C1 ENERGY= 982.9 kJ/mol
Energy+ZPE= 963.0 kJ/mol ZPE= 0.0419812
CONNECTIONS:
o DDC1821 o DDC1820
[ TS3710 ] Animation C1 ENERGY= 983.9 kJ/mol
Energy+ZPE= 959.7 kJ/mol ZPE= 0.0403399
CONNECTIONS:
o DDC1823 o DDC1822
[ TS3711 ] Animation Cs ENERGY= 985.1 kJ/mol
Energy+ZPE= 957.6 kJ/mol ZPE= 0.0390571
CONNECTIONS:
o DDC1825 o DDC1824
[ TS3712 ] Animation C1 ENERGY= 986.4 kJ/mol
Energy+ZPE= 961.5 kJ/mol ZPE= 0.0400591
CONNECTIONS:
o DDC1827 o DDC1826
[ TS3713 ] Animation C1 ENERGY= 988.7 kJ/mol
Energy+ZPE= 964.4 kJ/mol ZPE= 0.0402983
CONNECTIONS:
o DDC1829 o DDC1828
[ TS3714 ] Animation C1 ENERGY= 989.8 kJ/mol
Energy+ZPE= 965.4 kJ/mol ZPE= 0.0402425
CONNECTIONS:
o DDC1831 o DDC1830
[ TS3715 ] Animation C1 ENERGY= 990.4 kJ/mol
Energy+ZPE= 943.9 kJ/mol ZPE= 0.0318373
CONNECTIONS:
o DDC1833 o DDC1832
[ TS3716 ] Animation C1 ENERGY= 990.6 kJ/mol
Energy+ZPE= 965.8 kJ/mol ZPE= 0.0400903
CONNECTIONS:
o DDC1835 o DDC1834
[ TS3717 ] Animation Cs ENERGY= 992.5 kJ/mol
Energy+ZPE= 953.4 kJ/mol ZPE= 0.0346397
CONNECTIONS:
o DDC1837 o DDC1836
[ TS3718 ] Animation C1 ENERGY= 992.7 kJ/mol
Energy+ZPE= 967.7 kJ/mol ZPE= 0.0400204
CONNECTIONS:
o DDC1839 o DDC1838
[ TS3719 ] Animation C1 ENERGY= 996.1 kJ/mol
Energy+ZPE= 967.1 kJ/mol ZPE= 0.0385068
CONNECTIONS:
o DDC1841 o DDC1840
[ TS3720 ] Animation Cs ENERGY= 996.8 kJ/mol
Energy+ZPE= 975.8 kJ/mol ZPE= 0.0415421
CONNECTIONS:
o DDC1843 o DDC1842
[ TS3721 ] Animation C1 ENERGY= 997.4 kJ/mol
Energy+ZPE= 972.2 kJ/mol ZPE= 0.0399625
CONNECTIONS:
o DDC1845 o DDC1844
[ TS3722 ] Animation C1 ENERGY= 998.3 kJ/mol
Energy+ZPE= 976.2 kJ/mol ZPE= 0.0411196
CONNECTIONS:
o DDC1847 o DDC1846
[ TS3723 ] Animation C1 ENERGY= 999.8 kJ/mol
Energy+ZPE= 974.3 kJ/mol ZPE= 0.0398512
CONNECTIONS:
o DDC1849 o DDC1848
[ TS3724 ] Animation C1 ENERGY= 1000.3 kJ/mol
Energy+ZPE= 963.9 kJ/mol ZPE= 0.0356934
CONNECTIONS:
o DDC1851 o DDC1850
[ TS3725 ] Animation C1 ENERGY= 1000.7 kJ/mol
Energy+ZPE= 981.4 kJ/mol ZPE= 0.0421822
CONNECTIONS:
o DDC1853 o DDC1852
[ TS3726 ] Animation C1 ENERGY= 1003.1 kJ/mol
Energy+ZPE= 971.2 kJ/mol ZPE= 0.0374060
CONNECTIONS:
o DDC1855 o DDC1854
[ TS3727 ] Animation C1 ENERGY= 1007.7 kJ/mol
Energy+ZPE= 981.2 kJ/mol ZPE= 0.0394413
CONNECTIONS:
o DDC1857 o DDC1856
[ TS3728 ] Animation C1 ENERGY= 1014.6 kJ/mol
Energy+ZPE= 989.3 kJ/mol ZPE= 0.0398930
CONNECTIONS:
o DDC1859 o DDC1858
[ TS3729 ] Animation C1 ENERGY= 1017.1 kJ/mol
Energy+ZPE= 991.6 kJ/mol ZPE= 0.0398462
CONNECTIONS:
o DDC1861 o DDC1860
[ TS3730 ] Animation C1 ENERGY= 1018.8 kJ/mol
Energy+ZPE= 983.6 kJ/mol ZPE= 0.0361263
CONNECTIONS:
o DDC1863 o DDC1862
[ TS3731 ] Animation C1 ENERGY= 1019.4 kJ/mol
Energy+ZPE= 993.5 kJ/mol ZPE= 0.0396927
CONNECTIONS:
o DDC1865 o DDC1864
[ TS3732 ] Animation C1 ENERGY= 1019.7 kJ/mol
Energy+ZPE= 989.6 kJ/mol ZPE= 0.0380966
CONNECTIONS:
o DDC1867 o DDC1866
[ TS3733 ] Animation C1 ENERGY= 1021.6 kJ/mol
Energy+ZPE= 995.1 kJ/mol ZPE= 0.0394713
CONNECTIONS:
o DDC1869 o DDC1868
[ TS3734 ] Animation C1 ENERGY= 1022.0 kJ/mol
Energy+ZPE= 995.5 kJ/mol ZPE= 0.0394435
CONNECTIONS:
o DDC1871 o DDC1870
[ TS3735 ] Animation C1 ENERGY= 1024.3 kJ/mol
Energy+ZPE= 997.5 kJ/mol ZPE= 0.0393326
CONNECTIONS:
o DDC1873 o DDC1872
[ TS3736 ] Animation C1 ENERGY= 1026.6 kJ/mol
Energy+ZPE= 1004.2 kJ/mol ZPE= 0.0410317
CONNECTIONS:
o DDC1875 o DDC1874
[ TS3737 ] Animation C1 ENERGY= 1026.6 kJ/mol
Energy+ZPE= 1004.2 kJ/mol ZPE= 0.0410290
CONNECTIONS:
o DDC1877 o DDC1876
[ TS3738 ] Animation C1 ENERGY= 1028.7 kJ/mol
Energy+ZPE= 1006.7 kJ/mol ZPE= 0.0411527
CONNECTIONS:
o DDC1879 o DDC1878
[ TS3739 ] Animation C1 ENERGY= 1029.4 kJ/mol
Energy+ZPE= 1006.5 kJ/mol ZPE= 0.0408130
CONNECTIONS:
o DDC1881 o DDC1880
[ TS3740 ] Animation C1 ENERGY= 1029.9 kJ/mol
Energy+ZPE= 1011.1 kJ/mol ZPE= 0.0424041
CONNECTIONS:
o DDC1883 o DDC1882
[ TS3741 ] Animation C1 ENERGY= 1032.0 kJ/mol
Energy+ZPE= 1009.9 kJ/mol ZPE= 0.0411246
CONNECTIONS:
o DDC1885 o DDC1884
[ TS3742 ] Animation C1 ENERGY= 1032.6 kJ/mol
Energy+ZPE= 1005.3 kJ/mol ZPE= 0.0391329
CONNECTIONS:
o DDC1887 o DDC1886
[ TS3743 ] Animation C1 ENERGY= 1033.8 kJ/mol
Energy+ZPE= 1005.1 kJ/mol ZPE= 0.0386273
CONNECTIONS:
o DDC1889 o DDC1888
[ TS3744 ] Animation C1 ENERGY= 1035.2 kJ/mol
Energy+ZPE= 1008.7 kJ/mol ZPE= 0.0394561
CONNECTIONS:
o DDC1891 o DDC1890
[ TS3745 ] Animation C1 ENERGY= 1044.6 kJ/mol
Energy+ZPE= 1014.6 kJ/mol ZPE= 0.0381081
CONNECTIONS:
o DDC1893 o DDC1892
[ TS3746 ] Animation C1 ENERGY= 1047.5 kJ/mol
Energy+ZPE= 1025.7 kJ/mol ZPE= 0.0412551
CONNECTIONS:
o DDC1895 o DDC1894
[ TS3747 ] Animation C1 ENERGY= 1047.6 kJ/mol
Energy+ZPE= 1025.0 kJ/mol ZPE= 0.0409583
CONNECTIONS:
o DDC1897 o DDC1896
[ TS3748 ] Animation C1 ENERGY= 1047.8 kJ/mol
Energy+ZPE= 1018.2 kJ/mol ZPE= 0.0382610
CONNECTIONS:
o DDC1899 o DDC1898
[ TS3749 ] Animation C1 ENERGY= 1048.0 kJ/mol
Energy+ZPE= 1016.2 kJ/mol ZPE= 0.0374247
CONNECTIONS:
o DDC1901 o DDC1900
[ TS3750 ] Animation C1 ENERGY= 1049.3 kJ/mol
Energy+ZPE= 1027.5 kJ/mol ZPE= 0.0412617
CONNECTIONS:
o DDC1903 o DDC1902
[ TS3751 ] Animation C1 ENERGY= 1052.1 kJ/mol
Energy+ZPE= 1024.7 kJ/mol ZPE= 0.0391235
CONNECTIONS:
o DDC1905 o DDC1904
[ TS3752 ] Animation C1 ENERGY= 1053.9 kJ/mol
Energy+ZPE= 1029.9 kJ/mol ZPE= 0.0403911
CONNECTIONS:
o DDC1907 o DDC1906
[ TS3753 ] Animation Cs ENERGY= 1055.1 kJ/mol
Energy+ZPE= 1029.8 kJ/mol ZPE= 0.0399241
CONNECTIONS:
o DDC1909 o DDC1908
[ TS3754 ] Animation C1 ENERGY= 1055.2 kJ/mol
Energy+ZPE= 1032.8 kJ/mol ZPE= 0.0410304
CONNECTIONS:
o DDC1911 o DDC1910
[ TS3755 ] Animation C1 ENERGY= 1056.3 kJ/mol
Energy+ZPE= 1020.0 kJ/mol ZPE= 0.0357177
CONNECTIONS:
o DDC1913 o DDC1912
[ TS3756 ] Animation C1 ENERGY= 1057.4 kJ/mol
Energy+ZPE= 1032.9 kJ/mol ZPE= 0.0402275
CONNECTIONS:
o DDC1915 o DDC1914
[ TS3757 ] Animation C1 ENERGY= 1057.6 kJ/mol
Energy+ZPE= 1034.3 kJ/mol ZPE= 0.0406734
CONNECTIONS:
o DDC1917 o DDC1916
[ TS3758 ] Animation C1 ENERGY= 1058.6 kJ/mol
Energy+ZPE= 1036.0 kJ/mol ZPE= 0.0409500
CONNECTIONS:
o DDC1919 o DDC1918
[ TS3759 ] Animation C1 ENERGY= 1059.6 kJ/mol
Energy+ZPE= 1031.6 kJ/mol ZPE= 0.0388825
CONNECTIONS:
o DDC1921 o DDC1920
[ TS3760 ] Animation C1 ENERGY= 1062.0 kJ/mol
Energy+ZPE= 1033.8 kJ/mol ZPE= 0.0388064
CONNECTIONS:
o DDC1923 o DDC1922
[ TS3761 ] Animation C1 ENERGY= 1062.2 kJ/mol
Energy+ZPE= 1034.0 kJ/mol ZPE= 0.0388182
CONNECTIONS:
o DDC1925 o DDC1924
[ TS3762 ] Animation Cs ENERGY= 1063.8 kJ/mol
Energy+ZPE= 1018.6 kJ/mol ZPE= 0.0323490
CONNECTIONS:
o DDC1927 o DDC1926
[ TS3763 ] Animation Cs ENERGY= 1064.3 kJ/mol
Energy+ZPE= 1036.0 kJ/mol ZPE= 0.0387721
CONNECTIONS:
o DDC1929 o DDC1928
[ TS3764 ] Animation C1 ENERGY= 1064.7 kJ/mol
Energy+ZPE= 1041.1 kJ/mol ZPE= 0.0405397
CONNECTIONS:
o DDC1931 o DDC1930
[ TS3765 ] Animation C1 ENERGY= 1065.1 kJ/mol
Energy+ZPE= 1040.8 kJ/mol ZPE= 0.0402788
CONNECTIONS:
o DDC1933 o DDC1932
[ TS3766 ] Animation C1 ENERGY= 1065.5 kJ/mol
Energy+ZPE= 1032.5 kJ/mol ZPE= 0.0369816
CONNECTIONS:
o DDC1935 o DDC1934
[ TS3767 ] Animation C1 ENERGY= 1066.6 kJ/mol
Energy+ZPE= 1043.9 kJ/mol ZPE= 0.0408841
CONNECTIONS:
o DDC1937 o DDC1936
[ TS3768 ] Animation C1 ENERGY= 1069.9 kJ/mol
Energy+ZPE= 1048.5 kJ/mol ZPE= 0.0413791
CONNECTIONS:
o DDC1939 o DDC1938
[ TS3769 ] Animation C1 ENERGY= 1070.2 kJ/mol
Energy+ZPE= 1044.9 kJ/mol ZPE= 0.0398953
CONNECTIONS:
o DDC1941 o DDC1940
[ TS3770 ] Animation C1 ENERGY= 1071.7 kJ/mol
Energy+ZPE= 1043.3 kJ/mol ZPE= 0.0387273
CONNECTIONS:
o DDC1943 o DDC1942
[ TS3771 ] Animation C1 ENERGY= 1075.4 kJ/mol
Energy+ZPE= 1048.4 kJ/mol ZPE= 0.0392517
CONNECTIONS:
o DDC1945 o DDC1944
[ TS3772 ] Animation C1 ENERGY= 1076.1 kJ/mol
Energy+ZPE= 1047.3 kJ/mol ZPE= 0.0385886
CONNECTIONS:
o DDC1947 o DDC1946
[ TS3773 ] Animation C1 ENERGY= 1076.3 kJ/mol
Energy+ZPE= 1046.0 kJ/mol ZPE= 0.0380230
CONNECTIONS:
o DDC1949 o DDC1948
[ TS3774 ] Animation C1 ENERGY= 1081.3 kJ/mol
Energy+ZPE= 1052.1 kJ/mol ZPE= 0.0384187
CONNECTIONS:
o DDC1951 o DDC1950
[ TS3775 ] Animation C1 ENERGY= 1081.4 kJ/mol
Energy+ZPE= 1054.6 kJ/mol ZPE= 0.0393348
CONNECTIONS:
o DDC1953 o DDC1952
[ TS3776 ] Animation Cs ENERGY= 1082.0 kJ/mol
Energy+ZPE= 1054.0 kJ/mol ZPE= 0.0388965
CONNECTIONS:
o DDC1955 o DDC1954
[ TS3777 ] Animation C1 ENERGY= 1083.0 kJ/mol
Energy+ZPE= 1056.9 kJ/mol ZPE= 0.0396120
CONNECTIONS:
o DDC1957 o DDC1956
[ TS3778 ] Animation C1 ENERGY= 1084.4 kJ/mol
Energy+ZPE= 1061.5 kJ/mol ZPE= 0.0408192
CONNECTIONS:
o DDC1959 o DDC1958
[ TS3779 ] Animation C1 ENERGY= 1084.9 kJ/mol
Energy+ZPE= 1059.0 kJ/mol ZPE= 0.0396853
CONNECTIONS:
o DDC1961 o DDC1960
[ TS3780 ] Animation C1 ENERGY= 1085.9 kJ/mol
Energy+ZPE= 1065.3 kJ/mol ZPE= 0.0417055
CONNECTIONS:
o DDC1963 o DDC1962
[ TS3781 ] Animation C1 ENERGY= 1087.0 kJ/mol
Energy+ZPE= 1057.4 kJ/mol ZPE= 0.0382701
CONNECTIONS:
o DDC1965 o DDC1964
[ TS3782 ] Animation C1 ENERGY= 1087.3 kJ/mol
Energy+ZPE= 1056.5 kJ/mol ZPE= 0.0378209
CONNECTIONS:
o DDC1967 o DDC1966
[ TS3783 ] Animation C1 ENERGY= 1088.7 kJ/mol
Energy+ZPE= 1058.1 kJ/mol ZPE= 0.0379078
CONNECTIONS:
o DDC1969 o DDC1968
[ TS3784 ] Animation C1 ENERGY= 1089.2 kJ/mol
Energy+ZPE= 1058.9 kJ/mol ZPE= 0.0380203
CONNECTIONS:
o DDC1971 o DDC1970
[ TS3785 ] Animation C1 ENERGY= 1089.8 kJ/mol
Energy+ZPE= 1067.6 kJ/mol ZPE= 0.0410749
CONNECTIONS:
o DDC1973 o DDC1972
[ TS3786 ] Animation Cs ENERGY= 1090.0 kJ/mol
Energy+ZPE= 1058.8 kJ/mol ZPE= 0.0376660
CONNECTIONS:
o DDC1975 o DDC1974
[ TS3787 ] Animation C1 ENERGY= 1090.2 kJ/mol
Energy+ZPE= 1060.6 kJ/mol ZPE= 0.0382633
CONNECTIONS:
o DDC1977 o DDC1976
[ TS3788 ] Animation C1 ENERGY= 1091.0 kJ/mol
Energy+ZPE= 1058.5 kJ/mol ZPE= 0.0371864
CONNECTIONS:
o DDC1979 o DDC1978
[ TS3789 ] Animation C1 ENERGY= 1091.7 kJ/mol
Energy+ZPE= 1061.1 kJ/mol ZPE= 0.0378939
CONNECTIONS:
o DDC1981 o DDC1980
[ TS3790 ] Animation C1 ENERGY= 1092.9 kJ/mol
Energy+ZPE= 1073.2 kJ/mol ZPE= 0.0420605
CONNECTIONS:
o DDC1983 o DDC1982
[ TS3791 ] Animation C1 ENERGY= 1097.2 kJ/mol
Energy+ZPE= 1064.7 kJ/mol ZPE= 0.0371677
CONNECTIONS:
o DDC1985 o DDC1984
[ TS3792 ] Animation C1 ENERGY= 1097.9 kJ/mol
Energy+ZPE= 1063.2 kJ/mol ZPE= 0.0363382
CONNECTIONS:
o DDC1987 o DDC1986
[ TS3793 ] Animation C1 ENERGY= 1101.8 kJ/mol
Energy+ZPE= 1078.3 kJ/mol ZPE= 0.0405883
CONNECTIONS:
o DDC1989 o DDC1988
[ TS3794 ] Animation C1 ENERGY= 1113.8 kJ/mol
Energy+ZPE= 1086.7 kJ/mol ZPE= 0.0392146
CONNECTIONS:
o DDC1991 o DDC1990
[ TS3795 ] Animation C1 ENERGY= 1113.8 kJ/mol
Energy+ZPE= 1087.2 kJ/mol ZPE= 0.0394062
CONNECTIONS:
o DDC1993 o DDC1992
[ TS3796 ] Animation C1 ENERGY= 1117.7 kJ/mol
Energy+ZPE= 1090.2 kJ/mol ZPE= 0.0390871
CONNECTIONS:
o DDC1995 o DDC1994
[ TS3797 ] Animation C1 ENERGY= 1119.3 kJ/mol
Energy+ZPE= 1086.7 kJ/mol ZPE= 0.0371436
CONNECTIONS:
o DDC1997 o DDC1996
[ TS3798 ] Animation C1 ENERGY= 1124.2 kJ/mol
Energy+ZPE= 1090.7 kJ/mol ZPE= 0.0367819
CONNECTIONS:
o DDC1999 o DDC1998
[ TS3799 ] Animation C1 ENERGY= 1138.2 kJ/mol
Energy+ZPE= 1115.6 kJ/mol ZPE= 0.0409344
CONNECTIONS:
o DDC2001 o DDC2000
[ TS3800 ] Animation C1 ENERGY= 1145.8 kJ/mol
Energy+ZPE= 1116.6 kJ/mol ZPE= 0.0384163
CONNECTIONS:
o DDC2003 o DDC2002
[ TS3801 ] Animation C1 ENERGY= 1148.8 kJ/mol
Energy+ZPE= 1118.9 kJ/mol ZPE= 0.0381488
CONNECTIONS:
o DDC2005 o DDC2004
[ TS3802 ] Animation C1 ENERGY= 1156.6 kJ/mol
Energy+ZPE= 1127.0 kJ/mol ZPE= 0.0382584
CONNECTIONS:
o DDC2007 o DDC2006
[ TS3803 ] Animation C1 ENERGY= 1158.1 kJ/mol
Energy+ZPE= 1123.8 kJ/mol ZPE= 0.0364896
CONNECTIONS:
o DDC2009 o DDC2008
[ TS3804 ] Animation C1 ENERGY= 1158.7 kJ/mol
Energy+ZPE= 1127.2 kJ/mol ZPE= 0.0375554
CONNECTIONS:
o DDC2011 o DDC2010
[ TS3805 ] Animation C1 ENERGY= 1160.9 kJ/mol
Energy+ZPE= 1133.4 kJ/mol ZPE= 0.0390706
CONNECTIONS:
o DDC2013 o DDC2012
[ TS3806 ] Animation C1 ENERGY= 1163.2 kJ/mol
Energy+ZPE= 1129.9 kJ/mol ZPE= 0.0368449
CONNECTIONS:
o DDC2015 o DDC2014
[ TS3807 ] Animation C1 ENERGY= 1163.6 kJ/mol
Energy+ZPE= 1135.3 kJ/mol ZPE= 0.0387543
CONNECTIONS:
o DDC2017 o DDC2016
[ TS3808 ] Animation Cs ENERGY= 1163.8 kJ/mol
Energy+ZPE= 1136.6 kJ/mol ZPE= 0.0391841
CONNECTIONS:
o DDC2019 o DDC2018
[ TS3809 ] Animation Cs ENERGY= 1164.0 kJ/mol
Energy+ZPE= 1138.6 kJ/mol ZPE= 0.0398875
CONNECTIONS:
o DDC2021 o DDC2020
[ TS3810 ] Animation C1 ENERGY= 1164.3 kJ/mol
Energy+ZPE= 1131.4 kJ/mol ZPE= 0.0370180
CONNECTIONS:
o DDC2023 o DDC2022
[ TS3811 ] Animation C1 ENERGY= 1165.3 kJ/mol
Energy+ZPE= 1137.1 kJ/mol ZPE= 0.0387984
CONNECTIONS:
o DDC2025 o DDC2024
[ TS3812 ] Animation C1 ENERGY= 1166.1 kJ/mol
Energy+ZPE= 1134.7 kJ/mol ZPE= 0.0375781
CONNECTIONS:
o DDC2027 o DDC2026
[ TS3813 ] Animation C1 ENERGY= 1169.2 kJ/mol
Energy+ZPE= 1141.9 kJ/mol ZPE= 0.0391606
CONNECTIONS:
o DDC2029 o DDC2028
[ TS3814 ] Animation C1 ENERGY= 1169.3 kJ/mol
Energy+ZPE= 1141.3 kJ/mol ZPE= 0.0388956
CONNECTIONS:
o DDC2031 o DDC2030
[ TS3815 ] Animation C1 ENERGY= 1169.6 kJ/mol
Energy+ZPE= 1144.3 kJ/mol ZPE= 0.0398929
CONNECTIONS:
o DDC2033 o DDC2032
[ TS3816 ] Animation C1 ENERGY= 1171.7 kJ/mol
Energy+ZPE= 1142.5 kJ/mol ZPE= 0.0384181
CONNECTIONS:
o DDC2035 o DDC2034
[ TS3817 ] Animation C1 ENERGY= 1173.5 kJ/mol
Energy+ZPE= 1146.1 kJ/mol ZPE= 0.0391176
CONNECTIONS:
o DDC2037 o DDC2036
[ TS3818 ] Animation C1 ENERGY= 1174.5 kJ/mol
Energy+ZPE= 1147.1 kJ/mol ZPE= 0.0391038
CONNECTIONS:
o DDC2039 o DDC2038
[ TS3819 ] Animation C1 ENERGY= 1175.1 kJ/mol
Energy+ZPE= 1146.1 kJ/mol ZPE= 0.0385035
CONNECTIONS:
o DDC2041 o DDC2040
[ TS3820 ] Animation C1 ENERGY= 1178.0 kJ/mol
Energy+ZPE= 1150.3 kJ/mol ZPE= 0.0390003
CONNECTIONS:
o DDC2043 o DDC2042
[ TS3821 ] Animation C1 ENERGY= 1178.4 kJ/mol
Energy+ZPE= 1156.1 kJ/mol ZPE= 0.0410564
CONNECTIONS:
o DDC2045 o DDC2044
[ TS3822 ] Animation C1 ENERGY= 1179.3 kJ/mol
Energy+ZPE= 1143.9 kJ/mol ZPE= 0.0360557
CONNECTIONS:
o DDC2047 o DDC2046
[ TS3823 ] Animation C1 ENERGY= 1180.2 kJ/mol
Energy+ZPE= 1151.2 kJ/mol ZPE= 0.0384936
CONNECTIONS:
o DDC2049 o DDC2048
[ TS3824 ] Animation C1 ENERGY= 1182.7 kJ/mol
Energy+ZPE= 1154.7 kJ/mol ZPE= 0.0388764
CONNECTIONS:
o DDC2051 o DDC2050
[ TS3825 ] Animation C1 ENERGY= 1186.4 kJ/mol
Energy+ZPE= 1162.5 kJ/mol ZPE= 0.0404614
CONNECTIONS:
o DDC2053 o DDC2052
[ TS3826 ] Animation C1 ENERGY= 1186.7 kJ/mol
Energy+ZPE= 1160.4 kJ/mol ZPE= 0.0395280
CONNECTIONS:
o DDC2055 o DDC2054
[ TS3827 ] Animation C1 ENERGY= 1186.8 kJ/mol
Energy+ZPE= 1158.5 kJ/mol ZPE= 0.0387634
CONNECTIONS:
o DDC2057 o DDC2056
[ TS3828 ] Animation Cs ENERGY= 1192.4 kJ/mol
Energy+ZPE= 1171.1 kJ/mol ZPE= 0.0414329
CONNECTIONS:
o DDC2059 o DDC2058
[ TS3829 ] Animation C1 ENERGY= 1198.1 kJ/mol
Energy+ZPE= 1167.6 kJ/mol ZPE= 0.0379312
CONNECTIONS:
o DDC2061 o DDC2060
[ TS3830 ] Animation C1 ENERGY= 1198.3 kJ/mol
Energy+ZPE= 1163.0 kJ/mol ZPE= 0.0360955
CONNECTIONS:
o DDC2063 o DDC2062
[ TS3831 ] Animation C1 ENERGY= 1199.5 kJ/mol
Energy+ZPE= 1169.3 kJ/mol ZPE= 0.0380318
CONNECTIONS:
o DDC2065 o DDC2064
[ TS3832 ] Animation C1 ENERGY= 1200.7 kJ/mol
Energy+ZPE= 1165.5 kJ/mol ZPE= 0.0361318
CONNECTIONS:
o DDC2067 o DDC2066
[ TS3833 ] Animation C1 ENERGY= 1201.0 kJ/mol
Energy+ZPE= 1174.5 kJ/mol ZPE= 0.0394512
CONNECTIONS:
o DDC2069 o DDC2068
[ TS3834 ] Animation C1 ENERGY= 1204.9 kJ/mol
Energy+ZPE= 1174.4 kJ/mol ZPE= 0.0379341
CONNECTIONS:
o DDC2071 o DDC2070
[ TS3835 ] Animation C1 ENERGY= 1209.9 kJ/mol
Energy+ZPE= 1181.4 kJ/mol ZPE= 0.0386879
CONNECTIONS:
o DDC2073 o DDC2072
[ TS3836 ] Animation C1 ENERGY= 1217.4 kJ/mol
Energy+ZPE= 1188.8 kJ/mol ZPE= 0.0386519
CONNECTIONS:
o DDC2075 o DDC2074
[ TS3837 ] Animation C1 ENERGY= 1220.6 kJ/mol
Energy+ZPE= 1187.3 kJ/mol ZPE= 0.0368657
CONNECTIONS:
o DDC2077 o DDC2076
[ TS3838 ] Animation C1 ENERGY= 1222.4 kJ/mol
Energy+ZPE= 1202.4 kJ/mol ZPE= 0.0419204
CONNECTIONS:
o DDC2079 o DDC2078
[ TS3839 ] Animation C1 ENERGY= 1224.2 kJ/mol
Energy+ZPE= 1202.2 kJ/mol ZPE= 0.0411528
CONNECTIONS:
o DDC2081 o DDC2080
[ TS3840 ] Animation C1 ENERGY= 1226.3 kJ/mol
Energy+ZPE= 1198.2 kJ/mol ZPE= 0.0388353
CONNECTIONS:
o DDC2083 o DDC2082
[ TS3841 ] Animation C1 ENERGY= 1227.8 kJ/mol
Energy+ZPE= 1204.0 kJ/mol ZPE= 0.0404859
CONNECTIONS:
o DDC2085 o DDC2084
[ TS3842 ] Animation C1 ENERGY= 1231.8 kJ/mol
Energy+ZPE= 1206.8 kJ/mol ZPE= 0.0400336
CONNECTIONS:
o DDC2087 o DDC2086
[ TS3843 ] Animation Cs ENERGY= 1233.7 kJ/mol
Energy+ZPE= 1205.5 kJ/mol ZPE= 0.0388238
CONNECTIONS:
o DDC2089 o DDC2088
[ TS3844 ] Animation Cs ENERGY= 1239.1 kJ/mol
Energy+ZPE= 1189.6 kJ/mol ZPE= 0.0306814
CONNECTIONS:
o DDC2091 o DDC2090
[ TS3845 ] Animation C1 ENERGY= 1245.0 kJ/mol
Energy+ZPE= 1220.2 kJ/mol ZPE= 0.0401144
CONNECTIONS:
o DDC2093 o DDC2092
[ TS3846 ] Animation C1 ENERGY= 1248.4 kJ/mol
Energy+ZPE= 1217.6 kJ/mol ZPE= 0.0378026
CONNECTIONS:
o DDC2095 o DDC2094
[ TS3847 ] Animation C1 ENERGY= 1249.7 kJ/mol
Energy+ZPE= 1222.0 kJ/mol ZPE= 0.0390122
CONNECTIONS:
o DDC2097 o DDC2096
[ TS3848 ] Animation C1 ENERGY= 1252.7 kJ/mol
Energy+ZPE= 1222.2 kJ/mol ZPE= 0.0379217
CONNECTIONS:
o DDC2099 o DDC2098
[ TS3849 ] Animation C1 ENERGY= 1256.5 kJ/mol
Energy+ZPE= 1225.8 kJ/mol ZPE= 0.0378627
CONNECTIONS:
o DDC2101 o DDC2100
[ TS3850 ] Animation C1 ENERGY= 1259.9 kJ/mol
Energy+ZPE= 1233.5 kJ/mol ZPE= 0.0395073
CONNECTIONS:
o DDC2103 o DDC2102
[ TS3851 ] Animation C1 ENERGY= 1260.3 kJ/mol
Energy+ZPE= 1228.4 kJ/mol ZPE= 0.0374101
CONNECTIONS:
o DDC2105 o DDC2104
[ TS3852 ] Animation C1 ENERGY= 1261.4 kJ/mol
Energy+ZPE= 1234.4 kJ/mol ZPE= 0.0392474
CONNECTIONS:
o DDC2107 o DDC2106
[ TS3853 ] Animation C1 ENERGY= 1267.3 kJ/mol
Energy+ZPE= 1236.6 kJ/mol ZPE= 0.0378613
CONNECTIONS:
o DDC2109 o DDC2108
[ TS3854 ] Animation Cs ENERGY= 1271.4 kJ/mol
Energy+ZPE= 1239.7 kJ/mol ZPE= 0.0374757
CONNECTIONS:
o DDC2111 o DDC2110
[ TS3855 ] Animation C1 ENERGY= 1277.3 kJ/mol
Energy+ZPE= 1248.9 kJ/mol ZPE= 0.0387349
CONNECTIONS:
o DDC2113 o DDC2112
[ TS3856 ] Animation C1 ENERGY= 1278.2 kJ/mol
Energy+ZPE= 1248.5 kJ/mol ZPE= 0.0382334
CONNECTIONS:
o DDC2115 o DDC2114
[ TS3857 ] Animation C1 ENERGY= 1288.9 kJ/mol
Energy+ZPE= 1256.2 kJ/mol ZPE= 0.0370774
CONNECTIONS:
o DDC2117 o DDC2116
[ TS3858 ] Animation C1 ENERGY= 1289.1 kJ/mol
Energy+ZPE= 1256.4 kJ/mol ZPE= 0.0370915
CONNECTIONS:
o DDC2119 o DDC2118
[ TS3859 ] Animation C1 ENERGY= 1291.3 kJ/mol
Energy+ZPE= 1261.7 kJ/mol ZPE= 0.0382657
CONNECTIONS:
o DDC2121 o DDC2120
[ TS3860 ] Animation C1 ENERGY= 1292.7 kJ/mol
Energy+ZPE= 1250.5 kJ/mol ZPE= 0.0334786
CONNECTIONS:
o DDC2123 o DDC2122
[ TS3861 ] Animation C1 ENERGY= 1292.9 kJ/mol
Energy+ZPE= 1266.2 kJ/mol ZPE= 0.0393944
CONNECTIONS:
o DDC2125 o DDC2124
[ TS3862 ] Animation C1 ENERGY= 1297.4 kJ/mol
Energy+ZPE= 1267.4 kJ/mol ZPE= 0.0381267
CONNECTIONS:
o DDC2127 o DDC2126
[ TS3863 ] Animation C1 ENERGY= 1297.6 kJ/mol
Energy+ZPE= 1267.2 kJ/mol ZPE= 0.0379596
CONNECTIONS:
o DDC2129 o DDC2128
[ TS3864 ] Animation C1 ENERGY= 1298.5 kJ/mol
Energy+ZPE= 1275.8 kJ/mol ZPE= 0.0408945
CONNECTIONS:
o DDC2131 o DDC2130
[ TS3865 ] Animation C1 ENERGY= 1299.0 kJ/mol
Energy+ZPE= 1275.8 kJ/mol ZPE= 0.0407194
CONNECTIONS:
o DDC2133 o DDC2132
[ TS3866 ] Animation C1 ENERGY= 1299.2 kJ/mol
Energy+ZPE= 1273.1 kJ/mol ZPE= 0.0395877
CONNECTIONS:
o DDC2135 o DDC2134
[ TS3867 ] Animation C1 ENERGY= 1299.4 kJ/mol
Energy+ZPE= 1278.0 kJ/mol ZPE= 0.0413953
CONNECTIONS:
o DDC2137 o DDC2136
[ TS3868 ] Animation C1 ENERGY= 1302.7 kJ/mol
Energy+ZPE= 1276.7 kJ/mol ZPE= 0.0396339
CONNECTIONS:
o DDC2139 o DDC2138
[ TS3869 ] Animation C1 ENERGY= 1310.5 kJ/mol
Energy+ZPE= 1283.7 kJ/mol ZPE= 0.0393210
CONNECTIONS:
o DDC2141 o DDC2140
[ TS3870 ] Animation C1 ENERGY= 1317.5 kJ/mol
Energy+ZPE= 1287.1 kJ/mol ZPE= 0.0379709
CONNECTIONS:
o DDC2143 o DDC2142
[ TS3871 ] Animation C1 ENERGY= 1322.7 kJ/mol
Energy+ZPE= 1293.1 kJ/mol ZPE= 0.0382730
CONNECTIONS:
o DDC2145 o DDC2144
[ TS3872 ] Animation C1 ENERGY= 1323.8 kJ/mol
Energy+ZPE= 1296.5 kJ/mol ZPE= 0.0391495
CONNECTIONS:
o DDC2147 o DDC2146
[ TS3873 ] Animation C1 ENERGY= 1324.4 kJ/mol
Energy+ZPE= 1303.1 kJ/mol ZPE= 0.0414355
CONNECTIONS:
o DDC2149 o DDC2148
[ TS3874 ] Animation C1 ENERGY= 1327.5 kJ/mol
Energy+ZPE= 1291.2 kJ/mol ZPE= 0.0357128
CONNECTIONS:
o DDC2151 o DDC2150
[ TS3875 ] Animation C1 ENERGY= 1330.4 kJ/mol
Energy+ZPE= 1307.3 kJ/mol ZPE= 0.0407308
CONNECTIONS:
o DDC2153 o DDC2152
[ TS3876 ] Animation C1 ENERGY= 1330.4 kJ/mol
Energy+ZPE= 1296.6 kJ/mol ZPE= 0.0366812
CONNECTIONS:
o DDC2155 o DDC2154
[ TS3877 ] Animation C1 ENERGY= 1332.6 kJ/mol
Energy+ZPE= 1308.7 kJ/mol ZPE= 0.0404393
CONNECTIONS:
o DDC2157 o DDC2156
[ TS3878 ] Animation C1 ENERGY= 1335.4 kJ/mol
Energy+ZPE= 1305.2 kJ/mol ZPE= 0.0380464
CONNECTIONS:
o DDC2159 o DDC2158
[ TS3879 ] Animation C1 ENERGY= 1336.0 kJ/mol
Energy+ZPE= 1306.7 kJ/mol ZPE= 0.0383993
CONNECTIONS:
o DDC2161 o DDC2160
[ TS3880 ] Animation C1 ENERGY= 1336.0 kJ/mol
Energy+ZPE= 1306.7 kJ/mol ZPE= 0.0384001
CONNECTIONS:
o DDC2163 o DDC2162
[ TS3881 ] Animation C1 ENERGY= 1350.0 kJ/mol
Energy+ZPE= 1320.9 kJ/mol ZPE= 0.0384522
CONNECTIONS:
o DDC2165 o DDC2164
[ TS3882 ] Animation C1 ENERGY= 1351.4 kJ/mol
Energy+ZPE= 1326.4 kJ/mol ZPE= 0.0400295
CONNECTIONS:
o DDC2167 o DDC2166
[ TS3883 ] Animation C1 ENERGY= 1355.0 kJ/mol
Energy+ZPE= 1327.3 kJ/mol ZPE= 0.0390112
CONNECTIONS:
o DDC2169 o DDC2168
[ TS3884 ] Animation C1 ENERGY= 1355.5 kJ/mol
Energy+ZPE= 1328.1 kJ/mol ZPE= 0.0390930
CONNECTIONS:
o DDC2171 o DDC2170
[ TS3885 ] Animation C1 ENERGY= 1361.9 kJ/mol
Energy+ZPE= 1334.9 kJ/mol ZPE= 0.0392531
CONNECTIONS:
o DDC2173 o DDC2172
[ TS3886 ] Animation C1 ENERGY= 1366.8 kJ/mol
Energy+ZPE= 1339.7 kJ/mol ZPE= 0.0392306
CONNECTIONS:
o DDC2175 o DDC2174
[ TS3887 ] Animation C1 ENERGY= 1392.2 kJ/mol
Energy+ZPE= 1356.4 kJ/mol ZPE= 0.0359031
CONNECTIONS:
o DDC2177 o DDC2176
[ TS3888 ] Animation C1 ENERGY= 1396.3 kJ/mol
Energy+ZPE= 1370.7 kJ/mol ZPE= 0.0397919
CONNECTIONS:
o DDC2179 o DDC2178
[ TS3889 ] Animation C1 ENERGY= 1396.9 kJ/mol
Energy+ZPE= 1370.4 kJ/mol ZPE= 0.0394439
CONNECTIONS:
o DDC2181 o DDC2180
[ TS3890 ] Animation C1 ENERGY= 1399.7 kJ/mol
Energy+ZPE= 1370.7 kJ/mol ZPE= 0.0384963
CONNECTIONS:
o DDC2183 o DDC2182
[ TS3891 ] Animation C1 ENERGY= 1419.2 kJ/mol
Energy+ZPE= 1383.5 kJ/mol ZPE= 0.0359564
CONNECTIONS:
o DDC2185 o DDC2184
[ TS3892 ] Animation C1 ENERGY= 1426.8 kJ/mol
Energy+ZPE= 1397.3 kJ/mol ZPE= 0.0383284
CONNECTIONS:
o DDC2187 o DDC2186
[ TS3893 ] Animation C1 ENERGY= 1433.6 kJ/mol
Energy+ZPE= 1409.3 kJ/mol ZPE= 0.0402971
CONNECTIONS:
o DDC2189 o DDC2188
[ TS3894 ] Animation C1 ENERGY= 1453.4 kJ/mol
Energy+ZPE= 1412.8 kJ/mol ZPE= 0.0340824
CONNECTIONS:
o DDC2191 o DDC2190
[ TS3895 ] Animation C1 ENERGY= 1463.9 kJ/mol
Energy+ZPE= 1433.3 kJ/mol ZPE= 0.0378982
CONNECTIONS:
o DDC2193 o DDC2192
[ TS3896 ] Animation C1 ENERGY= 1474.1 kJ/mol
Energy+ZPE= 1437.1 kJ/mol ZPE= 0.0354701
CONNECTIONS:
o DDC2195 o DDC2194
[ TS3897 ] Animation Cs ENERGY= 1507.2 kJ/mol
Energy+ZPE= 1472.4 kJ/mol ZPE= 0.0362740
CONNECTIONS:
o DDC2197 o DDC2196
[ TS3898 ] Animation C1 ENERGY= 1043.3 kJ/mol
Energy+ZPE= 1025.1 kJ/mol ZPE= 0.0426081
CONNECTIONS:
o xx o EQ49
[ TS3899 ] Animation C1 ENERGY= 622.8 kJ/mol
Energy+ZPE= 609.3 kJ/mol ZPE= 0.0443938
CONNECTIONS:
o xx o EQ134
[ TS3900 ] Animation C1 ENERGY= 946.5 kJ/mol
Energy+ZPE= 923.4 kJ/mol ZPE= 0.0407446
CONNECTIONS:
o xx o EQ190
[ TS3901 ] Animation C1 ENERGY= 865.9 kJ/mol
Energy+ZPE= 847.9 kJ/mol ZPE= 0.0426740
CONNECTIONS:
o xx o EQ243
[ TS3902 ] Animation C1 ENERGY= 749.3 kJ/mol
Energy+ZPE= 736.8 kJ/mol ZPE= 0.0447672
CONNECTIONS:
o xx o EQ250
[ TS3903 ] Animation C1 ENERGY= 716.9 kJ/mol
Energy+ZPE= 701.4 kJ/mol ZPE= 0.0436537
CONNECTIONS:
o xx o EQ261
[ TS3904 ] Animation C1 ENERGY= 1111.5 kJ/mol
Energy+ZPE= 1087.4 kJ/mol ZPE= 0.0403565
CONNECTIONS:
o xx o EQ301
[ TS3905 ] Animation Cs ENERGY= 1029.6 kJ/mol
Energy+ZPE= 1011.3 kJ/mol ZPE= 0.0425697
CONNECTIONS:
o xx o EQ409
[ TS3906 ] Animation C1 ENERGY= 1332.9 kJ/mol
Energy+ZPE= 1304.5 kJ/mol ZPE= 0.0387415
CONNECTIONS:
o xx o EQ419
[ TS3907 ] Animation C1 ENERGY= 1201.3 kJ/mol
Energy+ZPE= 1178.7 kJ/mol ZPE= 0.0409530
CONNECTIONS:
o xx o EQ466
[ TS3908 ] Animation C1 ENERGY= 1086.2 kJ/mol
Energy+ZPE= 1062.1 kJ/mol ZPE= 0.0403721
CONNECTIONS:
o xx o EQ505
[ TS3909 ] Animation C1 ENERGY= 1158.2 kJ/mol
Energy+ZPE= 1138.2 kJ/mol ZPE= 0.0419203
CONNECTIONS:
o xx o EQ510
[ TS3910 ] Animation C1 ENERGY= 1323.7 kJ/mol
Energy+ZPE= 1304.5 kJ/mol ZPE= 0.0422202
CONNECTIONS:
o xx o EQ510
[ TS3911 ] Animation Cs ENERGY= 1245.8 kJ/mol
Energy+ZPE= 1219.0 kJ/mol ZPE= 0.0393364
CONNECTIONS:
o xx o EQ549
[ TS3912 ] Animation C1 ENERGY= 709.0 kJ/mol
Energy+ZPE= 691.8 kJ/mol ZPE= 0.0429896
CONNECTIONS:
o xx o DC
[ TS3913 ] Animation C1 ENERGY= 821.5 kJ/mol
Energy+ZPE= 795.5 kJ/mol ZPE= 0.0396558
CONNECTIONS:
o xx o DC
[ TS3914 ] Animation C1 ENERGY= 1053.1 kJ/mol
Energy+ZPE= 1030.8 kJ/mol ZPE= 0.0410364
CONNECTIONS:
o xx o DC
[ TS3915 ] Animation C1 ENERGY= 447.8 kJ/mol
Energy+ZPE= 438.1 kJ/mol ZPE= 0.0458439
CONNECTIONS:
o xx o xx
[ TS3916 ] Animation C1 ENERGY= 534.3 kJ/mol
Energy+ZPE= 515.0 kJ/mol ZPE= 0.0421828
CONNECTIONS:
o xx o xx
[ TS3917 ] Animation C1 ENERGY= 553.3 kJ/mol
Energy+ZPE= 527.8 kJ/mol ZPE= 0.0398189
CONNECTIONS:
o xx o xx
[ TS3918 ] Animation Cs ENERGY= 628.3 kJ/mol
Energy+ZPE= 615.5 kJ/mol ZPE= 0.0446807
CONNECTIONS:
o xx o xx
[ TS3919 ] Animation C1 ENERGY= 645.8 kJ/mol
Energy+ZPE= 632.4 kJ/mol ZPE= 0.0444554
CONNECTIONS:
o xx o xx
[ TS3920 ] Animation C1 ENERGY= 662.5 kJ/mol
Energy+ZPE= 645.4 kJ/mol ZPE= 0.0430360
CONNECTIONS:
o xx o xx
[ TS3921 ] Animation C1 ENERGY= 695.8 kJ/mol
Energy+ZPE= 680.2 kJ/mol ZPE= 0.0436035
CONNECTIONS:
o xx o xx
[ TS3922 ] Animation C1 ENERGY= 717.0 kJ/mol
Energy+ZPE= 698.8 kJ/mol ZPE= 0.0426304
CONNECTIONS:
o xx o xx
[ TS3923 ] Animation Cs ENERGY= 728.0 kJ/mol
Energy+ZPE= 711.5 kJ/mol ZPE= 0.0432466
CONNECTIONS:
o xx o xx
[ TS3924 ] Animation Cs ENERGY= 734.8 kJ/mol
Energy+ZPE= 715.7 kJ/mol ZPE= 0.0422566
CONNECTIONS:
o xx o xx
[ TS3925 ] Animation C1 ENERGY= 964.6 kJ/mol
Energy+ZPE= 945.5 kJ/mol ZPE= 0.0422893
CONNECTIONS:
o xx o xx
[ TS3926 ] Animation C1 ENERGY= 1087.1 kJ/mol
Energy+ZPE= 1065.9 kJ/mol ZPE= 0.0414723
CONNECTIONS:
o xx o xx
[ TS3927 ] Animation C1 ENERGY= 1107.9 kJ/mol
Energy+ZPE= 1087.6 kJ/mol ZPE= 0.0417967
CONNECTIONS:
o xx o xx
[ TS3928 ] Animation C1 ENERGY= 1151.7 kJ/mol
Energy+ZPE= 1127.9 kJ/mol ZPE= 0.0404855
CONNECTIONS:
o xx o xx
[ TS3929 ] Animation C1 ENERGY= 1152.2 kJ/mol
Energy+ZPE= 1130.1 kJ/mol ZPE= 0.0411414
CONNECTIONS:
o xx o xx
[ TS3930 ] Animation C1 ENERGY= 1205.8 kJ/mol
Energy+ZPE= 1179.2 kJ/mol ZPE= 0.0394048
CONNECTIONS:
o xx o xx
[ TS3931 ] Animation C1 ENERGY= 1354.8 kJ/mol
Energy+ZPE= 1322.2 kJ/mol ZPE= 0.0371217
CONNECTIONS:
o xx o xx
[ DDC0 ]
Cs ENERGY= 133.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS9 o EQ0
[ DDC1 ]
C1 ENERGY= -3.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS10 o EQ0
[ DDC2 ]
Cs ENERGY= 541.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS11 o EQ0
[ DDC3 ]
C1 ENERGY= 547.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS12 o EQ0
[ DDC4 ]
Cs ENERGY= -65.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS20 o EQ1
[ DDC5 ]
Cs ENERGY= 29.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS30 o EQ2
[ DDC6 ]
C1 ENERGY= -28.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS31 o EQ2
[ DDC7 ]
Cs ENERGY= 22.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS43 o EQ3
[ DDC8 ]
C1 ENERGY= -45.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS44 o EQ3
[ DDC9 ]
C1 ENERGY= -1.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS45 o EQ3
[ DDC10 ]
Cs ENERGY= 161.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS46 o EQ3
[ DDC11 ]
Cs ENERGY= 131.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS72 o EQ4
[ DDC12 ]
C1 ENERGY= 48.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS73 o EQ4
[ DDC13 ]
C1 ENERGY= -35.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS74 o EQ4
[ DDC14 ]
C1 ENERGY= 231.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS75 o EQ4
[ DDC15 ]
C1 ENERGY= 156.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS76 o EQ4
[ DDC16 ]
C1 ENERGY= 502.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS77 o EQ4
[ DDC17 ]
C1 ENERGY= 793.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS105 o EQ6
[ DDC18 ]
C1 ENERGY= 49.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS111 o EQ7
[ DDC19 ]
C1 ENERGY= -48.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS125 o EQ8
[ DDC20 ]
C1 ENERGY= 468.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS126 o EQ8
[ DDC21 ]
C1 ENERGY= 132.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS127 o EQ8
[ DDC22 ]
C1 ENERGY= 460.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS128 o EQ8
[ DDC23 ]
C1 ENERGY= -22.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS134 o EQ9
[ DDC24 ]
C1 ENERGY= 26.8 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS135 o EQ9
[ DDC25 ]
C1 ENERGY= 44.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS136 o EQ9
[ DDC26 ]
C1 ENERGY= -0.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS137 o EQ9
[ DDC27 ]
C1 ENERGY= 41.6 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS143 o EQ10
[ DDC28 ]
C1 ENERGY= 51.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS144 o EQ10
[ DDC29 ]
C1 ENERGY= 54.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS145 o EQ10
[ DDC30 ]
C1 ENERGY= 89.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS146 o EQ10
[ DDC31 ]
C1 ENERGY= -5.6 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS165 o EQ11
[ DDC32 ]
Cs ENERGY= 457.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS166 o EQ11
[ DDC33 ]
C1 ENERGY= -49.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS168 o EQ12
[ DDC34 ]
C1 ENERGY= 328.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS169 o EQ12
[ DDC35 ]
C1 ENERGY= 113.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS170 o EQ12
[ DDC36 ]
C1 ENERGY= -30.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS174 o EQ14
[ DDC37 ]
C1 ENERGY= 129.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS175 o EQ14
[ DDC38 ]
Cs ENERGY= 40.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS178 o EQ15
[ DDC39 ]
Cs ENERGY= -52.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS181 o EQ16
[ DDC40 ]
C1 ENERGY= 62.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS182 o EQ16
[ DDC41 ]
Cs ENERGY= -34.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS188 o EQ17
[ DDC42 ]
Cs ENERGY= 40.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS193 o EQ19
[ DDC43 ]
C1 ENERGY= -24.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS194 o EQ19
[ DDC44 ]
C1 ENERGY= 138.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS195 o EQ19
[ DDC45 ]
C1 ENERGY= 194.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS196 o EQ19
[ DDC46 ]
Cs ENERGY= -19.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS197 o EQ19
[ DDC47 ]
C1 ENERGY= 61.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS206 o EQ20
[ DDC48 ]
Cs ENERGY= 34.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS220 o EQ22
[ DDC49 ]
C1 ENERGY= -3.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS221 o EQ22
[ DDC50 ]
C1 ENERGY= 145.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS222 o EQ22
[ DDC51 ]
C1 ENERGY= 50.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS226 o EQ23
[ DDC52 ]
C1 ENERGY= 152.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS227 o EQ23
[ DDC53 ]
C1 ENERGY= 187.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS228 o EQ23
[ DDC54 ]
C1 ENERGY= 155.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS233 o EQ24
[ DDC55 ]
C1 ENERGY= 155.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS238 o EQ25
[ DDC56 ]
C1 ENERGY= 64.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS243 o EQ26
[ DDC57 ]
C1 ENERGY= 183.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS244 o EQ26
[ DDC58 ]
C1 ENERGY= 48.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS254 o EQ27
[ DDC59 ]
C1 ENERGY= 57.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS255 o EQ27
[ DDC60 ]
C1 ENERGY= 155.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS256 o EQ27
[ DDC61 ]
C1 ENERGY= 396.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS257 o EQ27
[ DDC62 ]
C1 ENERGY= 815.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS258 o EQ27
[ DDC63 ]
C1 ENERGY= 152.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS263 o EQ28
[ DDC64 ]
C1 ENERGY= 58.2 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS264 o EQ28
[ DDC65 ]
C1 ENERGY= 460.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS265 o EQ28
[ DDC66 ]
C1 ENERGY= 37.9 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS267 o EQ29
[ DDC67 ]
C1 ENERGY= 37.6 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS269 o EQ30
[ DDC68 ]
C1 ENERGY= 47.9 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS270 o EQ30
[ DDC69 ]
C1 ENERGY= -2.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS299 o EQ31
[ DDC70 ]
C1 ENERGY= 353.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS300 o EQ31
[ DDC71 ]
C1 ENERGY= 864.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS301 o EQ31
[ DDC72 ]
C1 ENERGY= 970.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS302 o EQ31
[ DDC73 ]
C1 ENERGY= 1392.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS303 o EQ31
[ DDC74 ]
C1 ENERGY= 406.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS309 o EQ32
[ DDC75 ]
C1 ENERGY= 431.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS310 o EQ32
[ DDC76 ]
C1 ENERGY= 30.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS311 o EQ32
[ DDC77 ]
C1 ENERGY= 441.7 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS312 o EQ32
[ DDC78 ]
C1 ENERGY= 587.2 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS313 o EQ32
[ DDC79 ]
C1 ENERGY= 651.1 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS314 o EQ32
[ DDC80 ]
Cs ENERGY= 441.2 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS339 o EQ33
[ DDC81 ]
C1 ENERGY= 353.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS340 o EQ33
[ DDC82 ]
C1 ENERGY= 399.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS341 o EQ33
[ DDC83 ]
C1 ENERGY= 354.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS342 o EQ33
[ DDC84 ]
C1 ENERGY= 589.5 kJ/mol
FRAGMENTS:
HCO HCO O2
CONNECTIONS:
o TS343 o EQ33
[ DDC85 ]
C1 ENERGY= 807.6 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS344 o EQ33
[ DDC86 ]
C1 ENERGY= 324.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS349 o EQ34
[ DDC87 ]
Cs ENERGY= 40.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS351 o EQ35
[ DDC88 ]
Cs ENERGY= 147.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS352 o EQ35
[ DDC89 ]
C1 ENERGY= 47.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS356 o EQ36
[ DDC90 ]
C1 ENERGY= 90.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS357 o EQ36
[ DDC91 ]
C1 ENERGY= 147.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS358 o EQ36
[ DDC92 ]
Cs ENERGY= 176.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS359 o EQ36
[ DDC93 ]
C1 ENERGY= 327.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS360 o EQ36
[ DDC94 ]
C1 ENERGY= 134.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS361 o EQ36
[ DDC95 ]
C1 ENERGY= 354.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS382 o EQ38
[ DDC96 ]
Cs ENERGY= 495.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS383 o EQ38
[ DDC97 ]
C1 ENERGY= 654.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS384 o EQ38
[ DDC98 ]
C1 ENERGY= 731.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS385 o EQ38
[ DDC99 ]
C1 ENERGY= 700.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS386 o EQ38
[ DDC100 ]
C1 ENERGY= 1157.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS400 o EQ39
[ DDC101 ]
Cs ENERGY= 490.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS409 o EQ40
[ DDC102 ]
C1 ENERGY= 530.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS410 o EQ40
[ DDC103 ]
C1 ENERGY= 535.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS411 o EQ40
[ DDC104 ]
C1 ENERGY= -39.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS427 o EQ41
[ DDC105 ]
C1 ENERGY= -18.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS428 o EQ41
[ DDC106 ]
C1 ENERGY= 352.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS429 o EQ41
[ DDC107 ]
C1 ENERGY= 510.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS430 o EQ41
[ DDC108 ]
C1 ENERGY= -33.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS431 o EQ41
[ DDC109 ]
C1 ENERGY= 196.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS432 o EQ41
[ DDC110 ]
C1 ENERGY= 705.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS433 o EQ41
[ DDC111 ]
C1 ENERGY= 547.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS434 o EQ41
[ DDC112 ]
C1 ENERGY= 840.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS439 o EQ42
[ DDC113 ]
C1 ENERGY= -32.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS463 o EQ43
[ DDC114 ]
C1 ENERGY= 348.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS464 o EQ43
[ DDC115 ]
C1 ENERGY= 362.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS465 o EQ43
[ DDC116 ]
Cs ENERGY= 495.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS466 o EQ43
[ DDC117 ]
C1 ENERGY= -37.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS467 o EQ43
[ DDC118 ]
C1 ENERGY= 573.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS468 o EQ43
[ DDC119 ]
Cs ENERGY= 521.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS469 o EQ43
[ DDC120 ]
C1 ENERGY= 616.6 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS470 o EQ43
[ DDC121 ]
C1 ENERGY= 684.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS471 o EQ43
[ DDC122 ]
C1 ENERGY= 472.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS472 o EQ43
[ DDC123 ]
C1 ENERGY= 485.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS473 o EQ43
[ DDC124 ]
C1 ENERGY= 856.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS474 o EQ43
[ DDC125 ]
C1 ENERGY= 960.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS475 o EQ43
[ DDC126 ]
C1 ENERGY= 526.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS492 o EQ44
[ DDC127 ]
C1 ENERGY= 528.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS493 o EQ44
[ DDC128 ]
C1 ENERGY= 697.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS494 o EQ44
[ DDC129 ]
C1 ENERGY= 488.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS495 o EQ44
[ DDC130 ]
C1 ENERGY= 568.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS496 o EQ44
[ DDC131 ]
C1 ENERGY= 474.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS497 o EQ44
[ DDC132 ]
C1 ENERGY= 422.4 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS515 o EQ45
[ DDC133 ]
C1 ENERGY= 378.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS516 o EQ45
[ DDC134 ]
C1 ENERGY= 596.0 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS517 o EQ45
[ DDC135 ]
C1 ENERGY= 371.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS518 o EQ45
[ DDC136 ]
C1 ENERGY= -11.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS530 o EQ46
[ DDC137 ]
C1 ENERGY= 698.3 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS531 o EQ46
[ DDC138 ]
C1 ENERGY= 371.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS545 o EQ47
[ DDC139 ]
C1 ENERGY= 390.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS546 o EQ47
[ DDC140 ]
C1 ENERGY= 90.9 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS558 o EQ48
[ DDC141 ]
C1 ENERGY= -4.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS559 o EQ48
[ DDC142 ]
C1 ENERGY= 360.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS560 o EQ48
[ DDC143 ]
C1 ENERGY= -11.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS561 o EQ48
[ DDC144 ]
C1 ENERGY= 389.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS562 o EQ48
[ DDC145 ]
C1 ENERGY= 422.9 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS563 o EQ48
[ DDC146 ]
C1 ENERGY= 416.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS564 o EQ48
[ DDC147 ]
C1 ENERGY= 7.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS589 o EQ49
[ DDC148 ]
C1 ENERGY= 29.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS590 o EQ49
[ DDC149 ]
C1 ENERGY= 438.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS591 o EQ49
[ DDC150 ]
C1 ENERGY= 332.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS592 o EQ49
[ DDC151 ]
C1 ENERGY= 149.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS593 o EQ49
[ DDC152 ]
C1 ENERGY= 581.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS594 o EQ49
[ DDC153 ]
C1 ENERGY= 856.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS595 o EQ49
[ DDC154 ]
C1 ENERGY= 871.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS596 o EQ49
[ DDC155 ]
C1 ENERGY= 418.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS606 o EQ50
[ DDC156 ]
C1 ENERGY= 81.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS607 o EQ50
[ DDC157 ]
Cs ENERGY= 530.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS608 o EQ50
[ DDC158 ]
C1 ENERGY= 596.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS609 o EQ50
[ DDC159 ]
C1 ENERGY= 783.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS610 o EQ50
[ DDC160 ]
C1 ENERGY= 40.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS621 o EQ51
[ DDC161 ]
C1 ENERGY= 417.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS622 o EQ51
[ DDC162 ]
C1 ENERGY= 441.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS623 o EQ51
[ DDC163 ]
C1 ENERGY= 5.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS632 o EQ52
[ DDC164 ]
C1 ENERGY= 379.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS633 o EQ52
[ DDC165 ]
C1 ENERGY= 108.6 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS634 o EQ52
[ DDC166 ]
C1 ENERGY= 563.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS635 o EQ52
[ DDC167 ]
C1 ENERGY= 436.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS636 o EQ52
[ DDC168 ]
C1 ENERGY= 393.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS649 o EQ55
[ DDC169 ]
C1 ENERGY= 59.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS650 o EQ55
[ DDC170 ]
C1 ENERGY= 441.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS651 o EQ55
[ DDC171 ]
C1 ENERGY= 551.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS652 o EQ55
[ DDC172 ]
C1 ENERGY= 644.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS653 o EQ55
[ DDC173 ]
C1 ENERGY= 103.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS665 o EQ56
[ DDC174 ]
C1 ENERGY= 141.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS666 o EQ56
[ DDC175 ]
C1 ENERGY= 350.9 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS667 o EQ56
[ DDC176 ]
Cs ENERGY= 512.3 kJ/mol
FRAGMENTS:
CO3 CO H H
CONNECTIONS:
o TS668 o EQ56
[ DDC177 ]
C1 ENERGY= 550.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS669 o EQ56
[ DDC178 ]
C1 ENERGY= 457.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS670 o EQ56
[ DDC179 ]
C1 ENERGY= 572.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS677 o EQ57
[ DDC180 ]
C1 ENERGY= 35.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS687 o EQ58
[ DDC181 ]
C1 ENERGY= 625.4 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS688 o EQ58
[ DDC182 ]
C1 ENERGY= 487.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS689 o EQ58
[ DDC183 ]
C1 ENERGY= 112.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS690 o EQ59
[ DDC184 ]
Cs ENERGY= 434.8 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS691 o EQ59
[ DDC185 ]
C1 ENERGY= 447.2 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS692 o EQ59
[ DDC186 ]
Cs ENERGY= 463.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS709 o EQ60
[ DDC187 ]
C1 ENERGY= 397.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS710 o EQ60
[ DDC188 ]
C1 ENERGY= 831.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS711 o EQ60
[ DDC189 ]
C1 ENERGY= 890.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS712 o EQ60
[ DDC190 ]
C1 ENERGY= 359.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS721 o EQ61
[ DDC191 ]
C1 ENERGY= 387.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS722 o EQ61
[ DDC192 ]
C1 ENERGY= 470.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS735 o EQ62
[ DDC193 ]
C1 ENERGY= 343.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS736 o EQ62
[ DDC194 ]
C1 ENERGY= 159.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS737 o EQ62
[ DDC195 ]
C1 ENERGY= 293.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS738 o EQ62
[ DDC196 ]
C1 ENERGY= 432.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS744 o EQ63
[ DDC197 ]
C1 ENERGY= 358.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS745 o EQ63
[ DDC198 ]
C1 ENERGY= 433.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS746 o EQ63
[ DDC199 ]
C1 ENERGY= 653.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS747 o EQ63
[ DDC200 ]
C1 ENERGY= 354.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS753 o EQ64
[ DDC201 ]
C1 ENERGY= 490.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS754 o EQ64
[ DDC202 ]
C1 ENERGY= 439.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS762 o EQ66
[ DDC203 ]
Cs ENERGY= 718.8 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS763 o EQ66
[ DDC204 ]
C1 ENERGY= 694.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS764 o EQ66
[ DDC205 ]
C1 ENERGY= 506.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS775 o EQ67
[ DDC206 ]
C1 ENERGY= 888.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS776 o EQ67
[ DDC207 ]
C1 ENERGY= 884.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS781 o EQ68
[ DDC208 ]
C1 ENERGY= 991.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS782 o EQ68
[ DDC209 ]
C1 ENERGY= 133.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS793 o EQ69
[ DDC210 ]
C1 ENERGY= 413.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS794 o EQ69
[ DDC211 ]
C1 ENERGY= 353.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS795 o EQ69
[ DDC212 ]
C1 ENERGY= 856.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS796 o EQ69
[ DDC213 ]
C1 ENERGY= 449.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS809 o EQ70
[ DDC214 ]
C1 ENERGY= 487.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS810 o EQ70
[ DDC215 ]
C1 ENERGY= 1080.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS811 o EQ70
[ DDC216 ]
C1 ENERGY= 938.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS812 o EQ70
[ DDC217 ]
C1 ENERGY= 463.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS821 o EQ71
[ DDC218 ]
C1 ENERGY= 462.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS822 o EQ71
[ DDC219 ]
C1 ENERGY= 387.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS823 o EQ71
[ DDC220 ]
C1 ENERGY= 348.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS824 o EQ71
[ DDC221 ]
C1 ENERGY= 689.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS825 o EQ71
[ DDC222 ]
C1 ENERGY= 478.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS835 o EQ72
[ DDC223 ]
C1 ENERGY= -29.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS836 o EQ72
[ DDC224 ]
C1 ENERGY= 374.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS837 o EQ72
[ DDC225 ]
C1 ENERGY= 343.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS838 o EQ72
[ DDC226 ]
C1 ENERGY= 113.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS839 o EQ72
[ DDC227 ]
C1 ENERGY= 160.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS866 o EQ73
[ DDC228 ]
C1 ENERGY= 177.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS867 o EQ73
[ DDC229 ]
C1 ENERGY= 163.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS868 o EQ73
[ DDC230 ]
C1 ENERGY= 153.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS869 o EQ73
[ DDC231 ]
C1 ENERGY= 722.8 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS870 o EQ73
[ DDC232 ]
C1 ENERGY= 717.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS871 o EQ73
[ DDC233 ]
C1 ENERGY= 1019.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS872 o EQ73
[ DDC234 ]
Cs ENERGY= 332.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS876 o EQ74
[ DDC235 ]
C1 ENERGY= 410.6 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS886 o EQ75
[ DDC236 ]
C1 ENERGY= 888.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS887 o EQ75
[ DDC237 ]
C1 ENERGY= 127.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS900 o EQ76
[ DDC238 ]
C1 ENERGY= 533.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS901 o EQ76
[ DDC239 ]
C1 ENERGY= 127.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS902 o EQ76
[ DDC240 ]
C1 ENERGY= 396.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS904 o EQ77
[ DDC241 ]
Cs ENERGY= 338.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS905 o EQ77
[ DDC242 ]
C1 ENERGY= 624.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS906 o EQ77
[ DDC243 ]
C1 ENERGY= 818.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS907 o EQ77
[ DDC244 ]
C1 ENERGY= 733.4 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS913 o EQ78
[ DDC245 ]
Cs ENERGY= 470.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS919 o EQ79
[ DDC246 ]
C1 ENERGY= 526.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS920 o EQ79
[ DDC247 ]
C1 ENERGY= 387.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS921 o EQ79
[ DDC248 ]
Cs ENERGY= 486.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS926 o EQ80
[ DDC249 ]
C1 ENERGY= 196.9 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS927 o EQ80
[ DDC250 ]
C1 ENERGY= 382.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS928 o EQ80
[ DDC251 ]
C1 ENERGY= 360.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS929 o EQ80
[ DDC252 ]
C1 ENERGY= 513.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS930 o EQ80
[ DDC253 ]
C1 ENERGY= 672.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS931 o EQ80
[ DDC254 ]
C1 ENERGY= 230.1 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS953 o EQ81
[ DDC255 ]
C1 ENERGY= 543.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS954 o EQ81
[ DDC256 ]
C1 ENERGY= 160.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS955 o EQ81
[ DDC257 ]
C1 ENERGY= 147.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS956 o EQ81
[ DDC258 ]
C1 ENERGY= 711.9 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS957 o EQ81
[ DDC259 ]
C1 ENERGY= 844.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS958 o EQ81
[ DDC260 ]
C1 ENERGY= 961.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS959 o EQ81
[ DDC261 ]
C1 ENERGY= 670.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS967 o EQ82
[ DDC262 ]
C1 ENERGY= 463.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS968 o EQ82
[ DDC263 ]
C1 ENERGY= 694.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS969 o EQ82
[ DDC264 ]
Cs ENERGY= 60.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS970 o EQ83
[ DDC265 ]
C1 ENERGY= 482.6 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS971 o EQ83
[ DDC266 ]
C1 ENERGY= 635.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS979 o EQ84
[ DDC267 ]
C1 ENERGY= 865.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS980 o EQ84
[ DDC268 ]
C1 ENERGY= 858.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS981 o EQ84
[ DDC269 ]
C1 ENERGY= 504.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS994 o EQ86
[ DDC270 ]
C1 ENERGY= 537.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS995 o EQ86
[ DDC271 ]
C1 ENERGY= 542.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS996 o EQ86
[ DDC272 ]
C1 ENERGY= 364.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS997 o EQ86
[ DDC273 ]
C1 ENERGY= 960.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS998 o EQ86
[ DDC274 ]
Cs ENERGY= 529.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1007 o EQ87
[ DDC275 ]
C1 ENERGY= 868.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1008 o EQ87
[ DDC276 ]
C1 ENERGY= 902.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1012 o EQ88
[ DDC277 ]
C1 ENERGY= 381.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1018 o EQ89
[ DDC278 ]
C1 ENERGY= 551.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS1026 o EQ90
[ DDC279 ]
C1 ENERGY= 409.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1027 o EQ90
[ DDC280 ]
C1 ENERGY= 842.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1028 o EQ90
[ DDC281 ]
C1 ENERGY= 399.7 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1036 o EQ92
[ DDC282 ]
C1 ENERGY= 780.9 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1037 o EQ92
[ DDC283 ]
C1 ENERGY= 357.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1041 o EQ93
[ DDC284 ]
C1 ENERGY= 1210.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1049 o EQ94
[ DDC285 ]
C1 ENERGY= 541.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1058 o EQ95
[ DDC286 ]
C1 ENERGY= 728.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1062 o EQ97
[ DDC287 ]
C1 ENERGY= 671.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1071 o EQ99
[ DDC288 ]
C1 ENERGY= 550.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1072 o EQ99
[ DDC289 ]
C1 ENERGY= 429.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1101 o EQ103
[ DDC290 ]
Cs ENERGY= 630.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1102 o EQ103
[ DDC291 ]
C1 ENERGY= 814.5 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS1103 o EQ103
[ DDC292 ]
C1 ENERGY= 681.9 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1104 o EQ103
[ DDC293 ]
C1 ENERGY= 951.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1105 o EQ103
[ DDC294 ]
C1 ENERGY= -44.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS1112 o EQ104
[ DDC295 ]
C1 ENERGY= -42.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1113 o EQ104
[ DDC296 ]
C1 ENERGY= 551.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1114 o EQ104
[ DDC297 ]
C1 ENERGY= 785.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1115 o EQ104
[ DDC298 ]
C1 ENERGY= 128.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1119 o EQ105
[ DDC299 ]
C1 ENERGY= 141.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1120 o EQ105
[ DDC300 ]
C1 ENERGY= 363.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1121 o EQ105
[ DDC301 ]
C1 ENERGY= 356.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1122 o EQ105
[ DDC302 ]
C1 ENERGY= 418.6 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS1123 o EQ105
[ DDC303 ]
C1 ENERGY= 543.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1124 o EQ105
[ DDC304 ]
C1 ENERGY= 534.4 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1125 o EQ105
[ DDC305 ]
C1 ENERGY= 497.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1126 o EQ105
[ DDC306 ]
C1 ENERGY= 139.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1127 o EQ105
[ DDC307 ]
C1 ENERGY= -17.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1135 o EQ107
[ DDC308 ]
C1 ENERGY= -19.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1136 o EQ107
[ DDC309 ]
C1 ENERGY= 569.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1137 o EQ107
[ DDC310 ]
C1 ENERGY= 691.7 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1138 o EQ107
[ DDC311 ]
C1 ENERGY= 686.1 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1139 o EQ107
[ DDC312 ]
C1 ENERGY= 164.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1155 o EQ111
[ DDC313 ]
C1 ENERGY= 107.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1159 o EQ112
[ DDC314 ]
C1 ENERGY= 344.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1160 o EQ112
[ DDC315 ]
C1 ENERGY= 98.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1161 o EQ112
[ DDC316 ]
C1 ENERGY= 509.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1162 o EQ112
[ DDC317 ]
C1 ENERGY= 487.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1163 o EQ112
[ DDC318 ]
C1 ENERGY= 601.9 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS1164 o EQ112
[ DDC319 ]
C1 ENERGY= 130.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1165 o EQ112
[ DDC320 ]
C1 ENERGY= 914.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1166 o EQ112
[ DDC321 ]
C1 ENERGY= 497.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1172 o EQ113
[ DDC322 ]
C1 ENERGY= 77.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1173 o EQ113
[ DDC323 ]
C1 ENERGY= 850.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1174 o EQ113
[ DDC324 ]
C1 ENERGY= 844.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1175 o EQ113
[ DDC325 ]
C1 ENERGY= 765.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1176 o EQ113
[ DDC326 ]
C1 ENERGY= 136.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1182 o EQ114
[ DDC327 ]
C1 ENERGY= 496.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1183 o EQ115
[ DDC328 ]
C2 ENERGY= 525.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1199 o EQ116
[ DDC329 ]
C1 ENERGY= 180.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1200 o EQ116
[ DDC330 ]
C1 ENERGY= 549.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1207 o EQ117
[ DDC331 ]
C1 ENERGY= 691.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1214 o EQ118
[ DDC332 ]
C1 ENERGY= 668.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1215 o EQ118
[ DDC333 ]
C1 ENERGY= 123.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1218 o EQ119
[ DDC334 ]
C1 ENERGY= 129.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1219 o EQ120
[ DDC335 ]
Cs ENERGY= 467.0 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1223 o EQ122
[ DDC336 ]
C1 ENERGY= 606.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1224 o EQ122
[ DDC337 ]
C1 ENERGY= 731.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1225 o EQ122
[ DDC338 ]
C2 ENERGY= 193.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1231 o EQ123
[ DDC339 ]
C1 ENERGY= 198.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1232 o EQ123
[ DDC340 ]
C1 ENERGY= 129.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1233 o EQ123
[ DDC341 ]
C1 ENERGY= 156.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1234 o EQ123
[ DDC342 ]
C1 ENERGY= 648.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1235 o EQ123
[ DDC343 ]
C1 ENERGY= 417.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1241 o EQ124
[ DDC344 ]
Cs ENERGY= 542.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1242 o EQ124
[ DDC345 ]
C1 ENERGY= 512.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1245 o EQ125
[ DDC346 ]
C1 ENERGY= 632.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1246 o EQ125
[ DDC347 ]
C1 ENERGY= 340.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1247 o EQ126
[ DDC348 ]
Cs ENERGY= 507.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1261 o EQ128
[ DDC349 ]
C1 ENERGY= 788.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1262 o EQ128
[ DDC350 ]
C1 ENERGY= 155.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1285 o EQ129
[ DDC351 ]
C1 ENERGY= 791.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1286 o EQ129
[ DDC352 ]
C1 ENERGY= 791.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1287 o EQ129
[ DDC353 ]
C1 ENERGY= 132.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1294 o EQ130
[ DDC354 ]
C1 ENERGY= 144.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1295 o EQ130
[ DDC355 ]
C1 ENERGY= 649.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1296 o EQ130
[ DDC356 ]
Cs ENERGY= 500.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1298 o EQ131
[ DDC357 ]
C1 ENERGY= 549.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1310 o EQ132
[ DDC358 ]
C1 ENERGY= 99.6 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS1311 o EQ132
[ DDC359 ]
C1 ENERGY= 471.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1312 o EQ132
[ DDC360 ]
C1 ENERGY= 588.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1313 o EQ132
[ DDC361 ]
C1 ENERGY= 780.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1314 o EQ132
[ DDC362 ]
C1 ENERGY= 679.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1322 o EQ133
[ DDC363 ]
C1 ENERGY= 671.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1323 o EQ133
[ DDC364 ]
C1 ENERGY= 468.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1340 o EQ134
[ DDC365 ]
C1 ENERGY= 731.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1341 o EQ134
[ DDC366 ]
C1 ENERGY= 770.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1342 o EQ134
[ DDC367 ]
C1 ENERGY= 794.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1343 o EQ134
[ DDC368 ]
C1 ENERGY= 760.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1344 o EQ134
[ DDC369 ]
C1 ENERGY= 338.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1347 o EQ135
[ DDC370 ]
C1 ENERGY= 592.4 kJ/mol
FRAGMENTS:
CO3 CO H H
CONNECTIONS:
o TS1348 o EQ135
[ DDC371 ]
C1 ENERGY= 594.6 kJ/mol
FRAGMENTS:
CO3 CO H H
CONNECTIONS:
o TS1349 o EQ135
[ DDC372 ]
C1 ENERGY= 341.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1355 o EQ136
[ DDC373 ]
C1 ENERGY= 355.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1356 o EQ136
[ DDC374 ]
C1 ENERGY= 474.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS1357 o EQ136
[ DDC375 ]
C1 ENERGY= 381.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1358 o EQ136
[ DDC376 ]
C1 ENERGY= 398.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1361 o EQ137
[ DDC377 ]
C1 ENERGY= 446.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1364 o EQ138
[ DDC378 ]
C1 ENERGY= 202.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1376 o EQ139
[ DDC379 ]
C1 ENERGY= 244.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1377 o EQ139
[ DDC380 ]
C1 ENERGY= 777.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1378 o EQ139
[ DDC381 ]
C1 ENERGY= 775.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1379 o EQ139
[ DDC382 ]
C1 ENERGY= 784.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1380 o EQ139
[ DDC383 ]
C1 ENERGY= 466.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1388 o EQ140
[ DDC384 ]
C1 ENERGY= 442.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1389 o EQ140
[ DDC385 ]
C1 ENERGY= 439.0 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS1397 o EQ141
[ DDC386 ]
C1 ENERGY= 690.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1402 o EQ142
[ DDC387 ]
C1 ENERGY= 700.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1403 o EQ142
[ DDC388 ]
C1 ENERGY= 703.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1404 o EQ142
[ DDC389 ]
C1 ENERGY= 16.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1405 o EQ142
[ DDC390 ]
C1 ENERGY= 892.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1408 o EQ143
[ DDC391 ]
C1 ENERGY= 358.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1412 o EQ144
[ DDC392 ]
C1 ENERGY= 886.5 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS1413 o EQ144
[ DDC393 ]
C1 ENERGY= 317.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1417 o EQ145
[ DDC394 ]
C1 ENERGY= 650.7 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS1418 o EQ145
[ DDC395 ]
Cs ENERGY= 542.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1420 o EQ146
[ DDC396 ]
C1 ENERGY= 168.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1421 o EQ146
[ DDC397 ]
C1 ENERGY= 452.8 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1422 o EQ146
[ DDC398 ]
C1 ENERGY= 806.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1423 o EQ146
[ DDC399 ]
C1 ENERGY= 654.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1425 o EQ147
[ DDC400 ]
C1 ENERGY= 644.3 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1426 o EQ147
[ DDC401 ]
C1 ENERGY= 963.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1427 o EQ147
[ DDC402 ]
C1 ENERGY= 180.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS1430 o EQ148
[ DDC403 ]
C1 ENERGY= 389.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1438 o EQ149
[ DDC404 ]
C1 ENERGY= 21.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1439 o EQ149
[ DDC405 ]
C1 ENERGY= -2.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1440 o EQ149
[ DDC406 ]
C1 ENERGY= 346.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1441 o EQ149
[ DDC407 ]
C1 ENERGY= 678.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1446 o EQ150
[ DDC408 ]
C1 ENERGY= 641.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1447 o EQ150
[ DDC409 ]
C1 ENERGY= 764.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1448 o EQ150
[ DDC410 ]
C1 ENERGY= 683.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1453 o EQ151
[ DDC411 ]
C1 ENERGY= -4.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1454 o EQ151
[ DDC412 ]
C1 ENERGY= 724.2 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1455 o EQ151
[ DDC413 ]
C1 ENERGY= 110.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1456 o EQ152
[ DDC414 ]
C1 ENERGY= 539.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1457 o EQ152
[ DDC415 ]
C1 ENERGY= 647.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1458 o EQ152
[ DDC416 ]
C1 ENERGY= -52.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1464 o EQ153
[ DDC417 ]
C1 ENERGY= 289.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1465 o EQ153
[ DDC418 ]
C1 ENERGY= 405.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1466 o EQ153
[ DDC419 ]
C1 ENERGY= 599.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1467 o EQ153
[ DDC420 ]
C1 ENERGY= 543.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1492 o EQ156
[ DDC421 ]
C1 ENERGY= 832.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1493 o EQ156
[ DDC422 ]
C1 ENERGY= 1029.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1494 o EQ156
[ DDC423 ]
C1 ENERGY= 603.7 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1497 o EQ157
[ DDC424 ]
C1 ENERGY= 1013.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1498 o EQ157
[ DDC425 ]
C1 ENERGY= 588.8 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS1499 o EQ158
[ DDC426 ]
C1 ENERGY= -40.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1502 o EQ159
[ DDC427 ]
C1 ENERGY= 474.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1503 o EQ159
[ DDC428 ]
C1 ENERGY= 320.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1504 o EQ159
[ DDC429 ]
C1 ENERGY= 430.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1509 o EQ160
[ DDC430 ]
C1 ENERGY= 842.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1510 o EQ160
[ DDC431 ]
C1 ENERGY= 850.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1511 o EQ160
[ DDC432 ]
C1 ENERGY= 601.9 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS1513 o EQ161
[ DDC433 ]
C1 ENERGY= 487.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1516 o EQ162
[ DDC434 ]
Cs ENERGY= 536.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1528 o EQ163
[ DDC435 ]
C1 ENERGY= 369.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1529 o EQ163
[ DDC436 ]
Cs ENERGY= 602.1 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS1538 o EQ164
[ DDC437 ]
Cs ENERGY= 541.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1539 o EQ164
[ DDC438 ]
C1 ENERGY= 811.6 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS1540 o EQ164
[ DDC439 ]
C1 ENERGY= 586.7 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS1546 o EQ165
[ DDC440 ]
C1 ENERGY= 611.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1547 o EQ165
[ DDC441 ]
C1 ENERGY= 818.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1548 o EQ165
[ DDC442 ]
C1 ENERGY= 1173.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1549 o EQ165
[ DDC443 ]
C1 ENERGY= -58.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1555 o EQ166
[ DDC444 ]
C1 ENERGY= 543.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1556 o EQ166
[ DDC445 ]
C1 ENERGY= 592.2 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS1562 o EQ167
[ DDC446 ]
Cs ENERGY= 682.8 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS1568 o EQ168
[ DDC447 ]
C1 ENERGY= 395.4 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1570 o EQ169
[ DDC448 ]
C1 ENERGY= 128.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1579 o EQ170
[ DDC449 ]
C1 ENERGY= 164.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1583 o EQ171
[ DDC450 ]
C1 ENERGY= -44.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1586 o EQ172
[ DDC451 ]
C1 ENERGY= 575.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1587 o EQ172
[ DDC452 ]
C1 ENERGY= 788.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1588 o EQ172
[ DDC453 ]
C1 ENERGY= 41.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1591 o EQ173
[ DDC454 ]
C1 ENERGY= 380.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1592 o EQ173
[ DDC455 ]
C1 ENERGY= 592.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1593 o EQ173
[ DDC456 ]
C1 ENERGY= 156.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1597 o EQ174
[ DDC457 ]
C1 ENERGY= 684.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1598 o EQ174
[ DDC458 ]
C1 ENERGY= 245.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1604 o EQ175
[ DDC459 ]
C1 ENERGY= 556.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1608 o EQ176
[ DDC460 ]
C1 ENERGY= 690.8 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS1632 o EQ179
[ DDC461 ]
C1 ENERGY= 667.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1633 o EQ179
[ DDC462 ]
C1 ENERGY= 488.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1634 o EQ179
[ DDC463 ]
C1 ENERGY= 483.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1635 o EQ179
[ DDC464 ]
C1 ENERGY= 427.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1637 o EQ180
[ DDC465 ]
C1 ENERGY= 480.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1638 o EQ180
[ DDC466 ]
C1 ENERGY= 667.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1639 o EQ180
[ DDC467 ]
C1 ENERGY= 669.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1640 o EQ180
[ DDC468 ]
C1 ENERGY= 690.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1641 o EQ180
[ DDC469 ]
C1 ENERGY= 480.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1649 o EQ182
[ DDC470 ]
C1 ENERGY= 662.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1650 o EQ183
[ DDC471 ]
C1 ENERGY= 693.5 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS1656 o EQ184
[ DDC472 ]
C1 ENERGY= 482.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1657 o EQ184
[ DDC473 ]
C1 ENERGY= 999.9 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS1658 o EQ184
[ DDC474 ]
C1 ENERGY= 354.5 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS1674 o EQ186
[ DDC475 ]
C1 ENERGY= 740.5 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS1675 o EQ186
[ DDC476 ]
C1 ENERGY= 523.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1678 o EQ187
[ DDC477 ]
C1 ENERGY= 513.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1679 o EQ187
[ DDC478 ]
C1 ENERGY= 513.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1680 o EQ187
[ DDC479 ]
C1 ENERGY= 160.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1684 o EQ188
[ DDC480 ]
C2h ENERGY= 530.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1685 o EQ189
[ DDC481 ]
C2 ENERGY= 479.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1686 o EQ189
[ DDC482 ]
C1 ENERGY= 229.8 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS1687 o EQ189
[ DDC483 ]
C1 ENERGY= 522.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1688 o EQ189
[ DDC484 ]
C1 ENERGY= 552.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1689 o EQ189
[ DDC485 ]
C1 ENERGY= 317.5 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS1694 o EQ190
[ DDC486 ]
C1 ENERGY= 737.3 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS1697 o EQ192
[ DDC487 ]
C1 ENERGY= 717.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1698 o EQ192
[ DDC488 ]
C1 ENERGY= 456.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1699 o EQ193
[ DDC489 ]
C1 ENERGY= 518.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1700 o EQ193
[ DDC490 ]
C1 ENERGY= 537.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1701 o EQ193
[ DDC491 ]
C1 ENERGY= 498.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1711 o EQ195
[ DDC492 ]
Cs ENERGY= 618.8 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1712 o EQ195
[ DDC493 ]
Cs ENERGY= 369.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1714 o EQ196
[ DDC494 ]
Cs ENERGY= 401.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1715 o EQ196
[ DDC495 ]
Cs ENERGY= 666.4 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS1716 o EQ196
[ DDC496 ]
C1 ENERGY= 161.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1717 o EQ196
[ DDC497 ]
C1 ENERGY= 347.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1727 o EQ197
[ DDC498 ]
C1 ENERGY= 148.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1728 o EQ197
[ DDC499 ]
Cs ENERGY= 533.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1729 o EQ197
[ DDC500 ]
Cs ENERGY= 640.5 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1730 o EQ197
[ DDC501 ]
C1 ENERGY= 520.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1734 o EQ198
[ DDC502 ]
C1 ENERGY= 917.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1735 o EQ198
[ DDC503 ]
C1 ENERGY= 457.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1744 o EQ200
[ DDC504 ]
Cs ENERGY= 464.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1745 o EQ200
[ DDC505 ]
C1 ENERGY= 682.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1746 o EQ200
[ DDC506 ]
C1 ENERGY= 684.8 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1747 o EQ200
[ DDC507 ]
C1 ENERGY= 140.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1750 o EQ201
[ DDC508 ]
C1 ENERGY= 985.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS1755 o EQ202
[ DDC509 ]
C1 ENERGY= 515.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1757 o EQ203
[ DDC510 ]
Cs ENERGY= 651.0 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1760 o EQ205
[ DDC511 ]
C1 ENERGY= 824.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1761 o EQ205
[ DDC512 ]
C1 ENERGY= 132.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1768 o EQ206
[ DDC513 ]
C1 ENERGY= 357.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1774 o EQ208
[ DDC514 ]
C1 ENERGY= 415.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS1775 o EQ208
[ DDC515 ]
C1 ENERGY= 465.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1776 o EQ208
[ DDC516 ]
C1 ENERGY= 400.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1777 o EQ208
[ DDC517 ]
C1 ENERGY= 371.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1786 o EQ210
[ DDC518 ]
Cs ENERGY= 627.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1787 o EQ210
[ DDC519 ]
C1 ENERGY= 572.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1788 o EQ210
[ DDC520 ]
C1 ENERGY= 548.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1796 o EQ212
[ DDC521 ]
C1 ENERGY= 551.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1803 o EQ213
[ DDC522 ]
C1 ENERGY= 529.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1807 o EQ214
[ DDC523 ]
C1 ENERGY= 560.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1808 o EQ214
[ DDC524 ]
C1 ENERGY= 740.7 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS1815 o EQ216
[ DDC525 ]
C1 ENERGY= 770.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1824 o EQ217
[ DDC526 ]
C1 ENERGY= 553.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1832 o EQ218
[ DDC527 ]
C1 ENERGY= 1107.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1833 o EQ218
[ DDC528 ]
C1 ENERGY= 666.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1834 o EQ219
[ DDC529 ]
C1 ENERGY= 650.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1839 o EQ220
[ DDC530 ]
C1 ENERGY= 654.8 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1840 o EQ220
[ DDC531 ]
C1 ENERGY= 699.0 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1851 o EQ221
[ DDC532 ]
C1 ENERGY= 770.8 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS1852 o EQ221
[ DDC533 ]
C1 ENERGY= 298.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1858 o EQ223
[ DDC534 ]
C1 ENERGY= 745.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1859 o EQ223
[ DDC535 ]
C1 ENERGY= 741.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1863 o EQ225
[ DDC536 ]
C1 ENERGY= 795.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1864 o EQ225
[ DDC537 ]
C1 ENERGY= 158.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1867 o EQ226
[ DDC538 ]
C1 ENERGY= 616.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1868 o EQ226
[ DDC539 ]
C1 ENERGY= 993.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS1870 o EQ227
[ DDC540 ]
C1 ENERGY= 126.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1875 o EQ228
[ DDC541 ]
C1 ENERGY= 162.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1876 o EQ228
[ DDC542 ]
C1 ENERGY= 466.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1877 o EQ228
[ DDC543 ]
Cs ENERGY= 677.6 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1878 o EQ228
[ DDC544 ]
C1 ENERGY= 327.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1881 o EQ229
[ DDC545 ]
C1 ENERGY= 328.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1882 o EQ229
[ DDC546 ]
Cs ENERGY= 650.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1883 o EQ229
[ DDC547 ]
C1 ENERGY= 452.0 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1884 o EQ229
[ DDC548 ]
C1 ENERGY= 594.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1885 o EQ229
[ DDC549 ]
C1 ENERGY= 724.6 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS1887 o EQ230
[ DDC550 ]
C1 ENERGY= 723.7 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS1889 o EQ231
[ DDC551 ]
C1 ENERGY= 476.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1890 o EQ232
[ DDC552 ]
C1 ENERGY= 555.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1893 o EQ233
[ DDC553 ]
C1 ENERGY= 151.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1894 o EQ233
[ DDC554 ]
C1 ENERGY= 659.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1895 o EQ233
[ DDC555 ]
C1 ENERGY= 463.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1897 o EQ234
[ DDC556 ]
Cs ENERGY= 698.1 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1898 o EQ234
[ DDC557 ]
C1 ENERGY= 143.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1900 o EQ235
[ DDC558 ]
C1 ENERGY= 702.9 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS1903 o EQ238
[ DDC559 ]
Cs ENERGY= 408.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1904 o EQ238
[ DDC560 ]
C1 ENERGY= 455.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1905 o EQ239
[ DDC561 ]
C1 ENERGY= 458.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1906 o EQ239
[ DDC562 ]
C1 ENERGY= 589.1 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1908 o EQ240
[ DDC563 ]
C1 ENERGY= 100.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1909 o EQ240
[ DDC564 ]
C1 ENERGY= 183.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1913 o EQ241
[ DDC565 ]
C1 ENERGY= 715.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1914 o EQ241
[ DDC566 ]
C1 ENERGY= 193.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS1915 o EQ242
[ DDC567 ]
C1 ENERGY= 93.0 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1916 o EQ243
[ DDC568 ]
C1 ENERGY= 638.0 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS1917 o EQ243
[ DDC569 ]
C1 ENERGY= 509.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1930 o EQ245
[ DDC570 ]
C1 ENERGY= 489.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1931 o EQ245
[ DDC571 ]
C1 ENERGY= 452.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS1932 o EQ245
[ DDC572 ]
C1 ENERGY= 486.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1933 o EQ245
[ DDC573 ]
C1 ENERGY= 789.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS1934 o EQ245
[ DDC574 ]
C1 ENERGY= 272.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1935 o EQ246
[ DDC575 ]
C1 ENERGY= 256.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1936 o EQ246
[ DDC576 ]
C1 ENERGY= 359.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1938 o EQ247
[ DDC577 ]
C1 ENERGY= 360.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1939 o EQ247
[ DDC578 ]
C1 ENERGY= 638.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1940 o EQ247
[ DDC579 ]
C1 ENERGY= 658.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1941 o EQ247
[ DDC580 ]
C1 ENERGY= 661.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1942 o EQ247
[ DDC581 ]
C1 ENERGY= 634.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1943 o EQ247
[ DDC582 ]
C1 ENERGY= 667.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1944 o EQ247
[ DDC583 ]
C1 ENERGY= 634.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS1945 o EQ247
[ DDC584 ]
C1 ENERGY= 679.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1946 o EQ247
[ DDC585 ]
C1 ENERGY= 732.2 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1947 o EQ247
[ DDC586 ]
C1 ENERGY= 651.0 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS1948 o EQ247
[ DDC587 ]
C1 ENERGY= 107.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS1953 o EQ248
[ DDC588 ]
C1 ENERGY= 402.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1955 o EQ249
[ DDC589 ]
C1 ENERGY= 670.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1956 o EQ249
[ DDC590 ]
C1 ENERGY= 459.2 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS1960 o EQ250
[ DDC591 ]
C1 ENERGY= 469.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS1961 o EQ250
[ DDC592 ]
C1 ENERGY= 646.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS1962 o EQ250
[ DDC593 ]
C1 ENERGY= 153.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1967 o EQ251
[ DDC594 ]
Cs ENERGY= 61.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1968 o EQ251
[ DDC595 ]
C1 ENERGY= 76.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1969 o EQ251
[ DDC596 ]
Cs ENERGY= 91.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1970 o EQ251
[ DDC597 ]
C1 ENERGY= 148.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1971 o EQ251
[ DDC598 ]
C1 ENERGY= 151.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1972 o EQ251
[ DDC599 ]
C1 ENERGY= 636.9 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS1976 o EQ252
[ DDC600 ]
C1 ENERGY= 433.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1981 o EQ253
[ DDC601 ]
C1 ENERGY= 545.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS1982 o EQ253
[ DDC602 ]
C1 ENERGY= 732.0 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS1986 o EQ254
[ DDC603 ]
C1 ENERGY= 418.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1987 o EQ255
[ DDC604 ]
C1 ENERGY= 396.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS1988 o EQ255
[ DDC605 ]
C1 ENERGY= 643.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS1989 o EQ255
[ DDC606 ]
C1 ENERGY= 720.6 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS1995 o EQ256
[ DDC607 ]
C1 ENERGY= 136.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS1997 o EQ257
[ DDC608 ]
C1 ENERGY= 392.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2000 o EQ258
[ DDC609 ]
C1 ENERGY= 395.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2001 o EQ258
[ DDC610 ]
C1 ENERGY= 130.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2003 o EQ259
[ DDC611 ]
C1 ENERGY= 154.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2004 o EQ259
[ DDC612 ]
C1 ENERGY= 397.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2009 o EQ261
[ DDC613 ]
C1 ENERGY= 440.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2010 o EQ261
[ DDC614 ]
C1 ENERGY= 400.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2011 o EQ261
[ DDC615 ]
C1 ENERGY= 711.7 kJ/mol
FRAGMENTS:
H2CO CO3
CONNECTIONS:
o TS2012 o EQ261
[ DDC616 ]
Cs ENERGY= 512.6 kJ/mol
FRAGMENTS:
CO3 CO H H
CONNECTIONS:
o TS2015 o EQ262
[ DDC617 ]
Cs ENERGY= 444.9 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2016 o EQ262
[ DDC618 ]
Cs ENERGY= 47.2 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2020 o EQ263
[ DDC619 ]
C1 ENERGY= 726.9 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2021 o EQ263
[ DDC620 ]
C1 ENERGY= 725.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2022 o EQ263
[ DDC621 ]
C1 ENERGY= 1007.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2023 o EQ263
[ DDC622 ]
C1 ENERGY= 542.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2025 o EQ264
[ DDC623 ]
C1 ENERGY= 1243.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2026 o EQ264
[ DDC624 ]
C1 ENERGY= 408.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2030 o EQ265
[ DDC625 ]
C1 ENERGY= 558.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2031 o EQ265
[ DDC626 ]
C1 ENERGY= 936.4 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2038 o EQ267
[ DDC627 ]
C1 ENERGY= 795.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2039 o EQ267
[ DDC628 ]
C1 ENERGY= 403.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2040 o EQ268
[ DDC629 ]
C1 ENERGY= 372.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2041 o EQ268
[ DDC630 ]
C1 ENERGY= 444.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2042 o EQ268
[ DDC631 ]
C1 ENERGY= 580.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2045 o EQ269
[ DDC632 ]
Cs ENERGY= 541.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2051 o EQ270
[ DDC633 ]
C1 ENERGY= 558.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2052 o EQ270
[ DDC634 ]
C1 ENERGY= 446.8 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2055 o EQ271
[ DDC635 ]
C1 ENERGY= 599.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2056 o EQ271
[ DDC636 ]
C1 ENERGY= 648.7 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS2057 o EQ271
[ DDC637 ]
C1 ENERGY= 642.5 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS2058 o EQ271
[ DDC638 ]
C1 ENERGY= 670.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2059 o EQ271
[ DDC639 ]
C1 ENERGY= 518.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2060 o EQ271
[ DDC640 ]
C1 ENERGY= 652.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2061 o EQ271
[ DDC641 ]
C1 ENERGY= 649.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2062 o EQ271
[ DDC642 ]
C1 ENERGY= 583.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS2069 o EQ272
[ DDC643 ]
C1 ENERGY= 348.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2073 o EQ273
[ DDC644 ]
C1 ENERGY= 320.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2074 o EQ273
[ DDC645 ]
C1 ENERGY= 558.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2075 o EQ273
[ DDC646 ]
Cs ENERGY= 415.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2076 o EQ274
[ DDC647 ]
C1 ENERGY= 712.9 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS2081 o EQ275
[ DDC648 ]
C1 ENERGY= 431.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2082 o EQ275
[ DDC649 ]
C1 ENERGY= 672.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2083 o EQ275
[ DDC650 ]
C1 ENERGY= 547.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2084 o EQ275
[ DDC651 ]
C1 ENERGY= 532.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2085 o EQ275
[ DDC652 ]
C1 ENERGY= 466.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2086 o EQ276
[ DDC653 ]
C1 ENERGY= 321.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2087 o EQ276
[ DDC654 ]
C1 ENERGY= 856.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2092 o EQ277
[ DDC655 ]
Cs ENERGY= 770.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2095 o EQ278
[ DDC656 ]
C1 ENERGY= 860.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2096 o EQ278
[ DDC657 ]
C1 ENERGY= 552.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2097 o EQ278
[ DDC658 ]
C1 ENERGY= 513.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2098 o EQ278
[ DDC659 ]
C1 ENERGY= 166.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2099 o EQ279
[ DDC660 ]
C1 ENERGY= 659.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2105 o EQ280
[ DDC661 ]
Cs ENERGY= 655.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2106 o EQ280
[ DDC662 ]
C1 ENERGY= 973.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2107 o EQ280
[ DDC663 ]
C1 ENERGY= 927.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2108 o EQ281
[ DDC664 ]
Cs ENERGY= 549.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2110 o EQ282
[ DDC665 ]
C1 ENERGY= 731.7 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS2111 o EQ282
[ DDC666 ]
C1 ENERGY= 707.3 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS2112 o EQ283
[ DDC667 ]
C1 ENERGY= 411.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2113 o EQ283
[ DDC668 ]
C1 ENERGY= 554.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2114 o EQ283
[ DDC669 ]
C1 ENERGY= 526.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2115 o EQ283
[ DDC670 ]
C1 ENERGY= 998.7 kJ/mol
FRAGMENTS:
HCO3 CO H
CONNECTIONS:
o TS2116 o EQ283
[ DDC671 ]
C1 ENERGY= 559.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2118 o EQ284
[ DDC672 ]
C1 ENERGY= 719.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2119 o EQ284
[ DDC673 ]
C1 ENERGY= 601.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2122 o EQ285
[ DDC674 ]
C1 ENERGY= 669.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2123 o EQ285
[ DDC675 ]
C1 ENERGY= 601.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2124 o EQ285
[ DDC676 ]
C1 ENERGY= 670.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2125 o EQ285
[ DDC677 ]
Cs ENERGY= 825.9 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2126 o EQ285
[ DDC678 ]
C1 ENERGY= 376.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2129 o EQ286
[ DDC679 ]
C1 ENERGY= 487.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS2131 o EQ287
[ DDC680 ]
Cs ENERGY= 454.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2132 o EQ287
[ DDC681 ]
C1 ENERGY= 390.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2133 o EQ288
[ DDC682 ]
C1 ENERGY= 510.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2134 o EQ288
[ DDC683 ]
C1 ENERGY= 419.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2135 o EQ288
[ DDC684 ]
C1 ENERGY= 356.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS2143 o EQ289
[ DDC685 ]
C1 ENERGY= 359.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS2144 o EQ289
[ DDC686 ]
C1 ENERGY= 671.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2145 o EQ289
[ DDC687 ]
C1 ENERGY= 613.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2146 o EQ290
[ DDC688 ]
C1 ENERGY= 474.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2147 o EQ290
[ DDC689 ]
C1 ENERGY= 828.6 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2148 o EQ290
[ DDC690 ]
C1 ENERGY= 490.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2150 o EQ291
[ DDC691 ]
C1 ENERGY= 447.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2151 o EQ291
[ DDC692 ]
C1 ENERGY= 145.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2152 o EQ291
[ DDC693 ]
C1 ENERGY= 952.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2156 o EQ292
[ DDC694 ]
C1 ENERGY= 600.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2157 o EQ292
[ DDC695 ]
C1 ENERGY= 387.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2160 o EQ293
[ DDC696 ]
C1 ENERGY= 387.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2161 o EQ293
[ DDC697 ]
Cs ENERGY= 546.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2162 o EQ293
[ DDC698 ]
C1 ENERGY= 412.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2163 o EQ293
[ DDC699 ]
C1 ENERGY= 950.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2168 o EQ294
[ DDC700 ]
C1 ENERGY= 656.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2175 o EQ295
[ DDC701 ]
C1 ENERGY= 442.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2176 o EQ296
[ DDC702 ]
C1 ENERGY= 700.7 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS2177 o EQ296
[ DDC703 ]
C1 ENERGY= 433.1 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS2178 o EQ296
[ DDC704 ]
C1 ENERGY= 607.9 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS2179 o EQ296
[ DDC705 ]
C1 ENERGY= 623.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2183 o EQ297
[ DDC706 ]
C1 ENERGY= 855.3 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2184 o EQ297
[ DDC707 ]
C1 ENERGY= 855.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2185 o EQ297
[ DDC708 ]
C1 ENERGY= 692.7 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2187 o EQ299
[ DDC709 ]
C1 ENERGY= 427.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2233 o EQ301
[ DDC710 ]
C1 ENERGY= 1095.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2234 o EQ301
[ DDC711 ]
C1 ENERGY= 1118.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2235 o EQ301
[ DDC712 ]
C1 ENERGY= 823.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2236 o EQ301
[ DDC713 ]
C1 ENERGY= 679.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2238 o EQ302
[ DDC714 ]
C1 ENERGY= 785.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2239 o EQ302
[ DDC715 ]
C1 ENERGY= 845.0 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2240 o EQ302
[ DDC716 ]
Cs ENERGY= 691.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2242 o EQ303
[ DDC717 ]
C1 ENERGY= 593.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2245 o EQ304
[ DDC718 ]
C1 ENERGY= 697.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2246 o EQ304
[ DDC719 ]
C1 ENERGY= 630.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2247 o EQ305
[ DDC720 ]
C1 ENERGY= 662.3 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS2248 o EQ305
[ DDC721 ]
Cs ENERGY= 687.9 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2249 o EQ305
[ DDC722 ]
Cs ENERGY= 547.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS2252 o EQ306
[ DDC723 ]
C1 ENERGY= 100.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2253 o EQ306
[ DDC724 ]
C1 ENERGY= 648.7 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS2261 o EQ307
[ DDC725 ]
C1 ENERGY= 788.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2262 o EQ307
[ DDC726 ]
C1 ENERGY= 463.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2282 o EQ308
[ DDC727 ]
C1 ENERGY= 471.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2283 o EQ308
[ DDC728 ]
C1 ENERGY= 1021.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2284 o EQ308
[ DDC729 ]
C1 ENERGY= 685.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2285 o EQ309
[ DDC730 ]
C1 ENERGY= 520.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2286 o EQ309
[ DDC731 ]
C1 ENERGY= 591.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2287 o EQ309
[ DDC732 ]
C1 ENERGY= 467.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2295 o EQ310
[ DDC733 ]
C1 ENERGY= 466.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2296 o EQ310
[ DDC734 ]
C1 ENERGY= 723.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2297 o EQ311
[ DDC735 ]
C1 ENERGY= 881.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2306 o EQ313
[ DDC736 ]
C1 ENERGY= 701.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2309 o EQ314
[ DDC737 ]
C1 ENERGY= 385.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2310 o EQ315
[ DDC738 ]
C1 ENERGY= 725.5 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS2311 o EQ315
[ DDC739 ]
C1 ENERGY= 649.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2322 o EQ318
[ DDC740 ]
C1 ENERGY= 1094.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2323 o EQ318
[ DDC741 ]
C1 ENERGY= 678.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2325 o EQ319
[ DDC742 ]
C1 ENERGY= 470.1 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2326 o EQ319
[ DDC743 ]
Cs ENERGY= 825.2 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2327 o EQ319
[ DDC744 ]
C1 ENERGY= 717.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2332 o EQ321
[ DDC745 ]
C1 ENERGY= 436.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2336 o EQ322
[ DDC746 ]
C1 ENERGY= 496.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2337 o EQ322
[ DDC747 ]
C1 ENERGY= 497.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2338 o EQ322
[ DDC748 ]
C1 ENERGY= 396.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2339 o EQ322
[ DDC749 ]
C1 ENERGY= 394.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2340 o EQ322
[ DDC750 ]
C1 ENERGY= 674.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS2342 o EQ323
[ DDC751 ]
C1 ENERGY= 128.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2343 o EQ323
[ DDC752 ]
C1 ENERGY= 473.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2344 o EQ323
[ DDC753 ]
C1 ENERGY= 439.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2345 o EQ323
[ DDC754 ]
C1 ENERGY= 413.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2349 o EQ324
[ DDC755 ]
C1 ENERGY= 596.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2350 o EQ324
[ DDC756 ]
C1 ENERGY= 879.2 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS2351 o EQ324
[ DDC757 ]
C1 ENERGY= 832.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2352 o EQ324
[ DDC758 ]
C1 ENERGY= 780.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2355 o EQ325
[ DDC759 ]
Cs ENERGY= 773.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2356 o EQ325
[ DDC760 ]
C1 ENERGY= 800.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2357 o EQ326
[ DDC761 ]
C1 ENERGY= 961.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2358 o EQ326
[ DDC762 ]
C1 ENERGY= 958.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2359 o EQ326
[ DDC763 ]
C1 ENERGY= 802.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2360 o EQ327
[ DDC764 ]
C1 ENERGY= 797.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2361 o EQ327
[ DDC765 ]
C1 ENERGY= 963.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2362 o EQ327
[ DDC766 ]
C1 ENERGY= 1152.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2363 o EQ327
[ DDC767 ]
C1 ENERGY= 681.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2366 o EQ328
[ DDC768 ]
C1 ENERGY= 1056.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2367 o EQ328
[ DDC769 ]
C1 ENERGY= 832.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2374 o EQ329
[ DDC770 ]
C1 ENERGY= 821.9 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2380 o EQ330
[ DDC771 ]
C1 ENERGY= 924.3 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2385 o EQ331
[ DDC772 ]
C1 ENERGY= 772.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2386 o EQ331
[ DDC773 ]
C1 ENERGY= 791.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2388 o EQ333
[ DDC774 ]
C1 ENERGY= 501.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2389 o EQ333
[ DDC775 ]
C1 ENERGY= 679.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2390 o EQ333
[ DDC776 ]
C1 ENERGY= 818.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2391 o EQ333
[ DDC777 ]
C1 ENERGY= 823.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2392 o EQ333
[ DDC778 ]
C1 ENERGY= 763.4 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2394 o EQ334
[ DDC779 ]
Cs ENERGY= 675.7 kJ/mol
FRAGMENTS:
H2CO CO3
CONNECTIONS:
o TS2395 o EQ334
[ DDC780 ]
C1 ENERGY= 654.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2399 o EQ335
[ DDC781 ]
C1 ENERGY= 696.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2400 o EQ335
[ DDC782 ]
C1 ENERGY= 482.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2401 o EQ335
[ DDC783 ]
C1 ENERGY= 128.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2402 o EQ336
[ DDC784 ]
C1 ENERGY= 696.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS2403 o EQ336
[ DDC785 ]
C1 ENERGY= 458.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2404 o EQ336
[ DDC786 ]
C1 ENERGY= 453.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2405 o EQ336
[ DDC787 ]
C1 ENERGY= 800.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2406 o EQ337
[ DDC788 ]
C1 ENERGY= 819.5 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2407 o EQ337
[ DDC789 ]
C1 ENERGY= 419.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2409 o EQ338
[ DDC790 ]
C1 ENERGY= 892.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2410 o EQ338
[ DDC791 ]
C1 ENERGY= 780.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2416 o EQ339
[ DDC792 ]
C1 ENERGY= 801.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2417 o EQ339
[ DDC793 ]
C1 ENERGY= 766.6 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS2430 o EQ341
[ DDC794 ]
C1 ENERGY= 1061.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2431 o EQ341
[ DDC795 ]
C1 ENERGY= 847.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2433 o EQ342
[ DDC796 ]
Cs ENERGY= 608.6 kJ/mol
FRAGMENTS:
CO CO3 H H
CONNECTIONS:
o TS2434 o EQ342
[ DDC797 ]
C1 ENERGY= 996.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2435 o EQ342
[ DDC798 ]
C1 ENERGY= 382.2 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2452 o EQ343
[ DDC799 ]
C1 ENERGY= 668.8 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2453 o EQ343
[ DDC800 ]
C1 ENERGY= 1046.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2454 o EQ343
[ DDC801 ]
C1 ENERGY= 126.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2456 o EQ344
[ DDC802 ]
C1 ENERGY= 615.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2457 o EQ344
[ DDC803 ]
C1 ENERGY= 777.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2459 o EQ345
[ DDC804 ]
C1 ENERGY= 795.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2460 o EQ345
[ DDC805 ]
C1 ENERGY= 793.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2461 o EQ345
[ DDC806 ]
C1 ENERGY= 807.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2462 o EQ345
[ DDC807 ]
C1 ENERGY= 675.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2467 o EQ347
[ DDC808 ]
C1 ENERGY= 641.9 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS2468 o EQ347
[ DDC809 ]
C1 ENERGY= 495.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2471 o EQ348
[ DDC810 ]
C1 ENERGY= 393.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2472 o EQ348
[ DDC811 ]
C1 ENERGY= 400.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2473 o EQ348
[ DDC812 ]
C1 ENERGY= 410.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2474 o EQ348
[ DDC813 ]
C1 ENERGY= 724.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS2475 o EQ348
[ DDC814 ]
C1 ENERGY= 734.0 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS2476 o EQ348
[ DDC815 ]
Cs ENERGY= 834.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS2477 o EQ349
[ DDC816 ]
Cs ENERGY= 702.2 kJ/mol
FRAGMENTS:
CO3 CO H H
CONNECTIONS:
o TS2480 o EQ350
[ DDC817 ]
C1 ENERGY= 744.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2481 o EQ350
[ DDC818 ]
C1 ENERGY= 709.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2500 o EQ352
[ DDC819 ]
C1 ENERGY= 151.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2501 o EQ352
[ DDC820 ]
C1 ENERGY= 1179.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2502 o EQ352
[ DDC821 ]
C1 ENERGY= 539.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2503 o EQ353
[ DDC822 ]
Cs ENERGY= 721.5 kJ/mol
FRAGMENTS:
CO2 CO2 H H
CONNECTIONS:
o TS2504 o EQ353
[ DDC823 ]
C1 ENERGY= 705.6 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS2513 o EQ354
[ DDC824 ]
C1 ENERGY= 752.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2514 o EQ354
[ DDC825 ]
C1 ENERGY= 725.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2515 o EQ354
[ DDC826 ]
C1 ENERGY= 740.6 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS2523 o EQ355
[ DDC827 ]
C1 ENERGY= 825.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2524 o EQ355
[ DDC828 ]
C1 ENERGY= 701.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2533 o EQ357
[ DDC829 ]
Ci ENERGY= 1244.1 kJ/mol
FRAGMENTS:
H2C2 O2 O2
CONNECTIONS:
o TS2543 o EQ358
[ DDC830 ]
C1 ENERGY= 1291.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2544 o EQ358
[ DDC831 ]
C1 ENERGY= 1285.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2545 o EQ358
[ DDC832 ]
C1 ENERGY= 754.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2547 o EQ359
[ DDC833 ]
C1 ENERGY= 1132.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2552 o EQ360
[ DDC834 ]
C1 ENERGY= 373.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2555 o EQ361
[ DDC835 ]
C1 ENERGY= 753.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2558 o EQ362
[ DDC836 ]
C1 ENERGY= 729.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2559 o EQ362
[ DDC837 ]
C1 ENERGY= 714.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2563 o EQ363
[ DDC838 ]
C1 ENERGY= 786.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2564 o EQ363
[ DDC839 ]
C1 ENERGY= 980.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2565 o EQ363
[ DDC840 ]
C1 ENERGY= 786.2 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS2570 o EQ364
[ DDC841 ]
C1 ENERGY= 758.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2571 o EQ364
[ DDC842 ]
C1 ENERGY= 478.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2572 o EQ364
[ DDC843 ]
C1 ENERGY= 787.9 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS2575 o EQ365
[ DDC844 ]
C1 ENERGY= 720.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2576 o EQ365
[ DDC845 ]
C1 ENERGY= 1162.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS2577 o EQ365
[ DDC846 ]
C1 ENERGY= 863.6 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2580 o EQ366
[ DDC847 ]
C1 ENERGY= 785.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2581 o EQ366
[ DDC848 ]
C1 ENERGY= 387.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2582 o EQ367
[ DDC849 ]
C1 ENERGY= 787.6 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS2584 o EQ369
[ DDC850 ]
C1 ENERGY= 746.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2585 o EQ369
[ DDC851 ]
C1 ENERGY= 602.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2594 o EQ371
[ DDC852 ]
C1 ENERGY= 606.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2595 o EQ371
[ DDC853 ]
C1 ENERGY= 866.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2596 o EQ371
[ DDC854 ]
C1 ENERGY= 449.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2600 o EQ373
[ DDC855 ]
C1 ENERGY= 389.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2601 o EQ373
[ DDC856 ]
C1 ENERGY= 1111.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2602 o EQ373
[ DDC857 ]
C1 ENERGY= 704.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2610 o EQ374
[ DDC858 ]
C1 ENERGY= 908.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2611 o EQ374
[ DDC859 ]
C1 ENERGY= 697.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2612 o EQ374
[ DDC860 ]
C1 ENERGY= 730.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2627 o EQ376
[ DDC861 ]
C1 ENERGY= 869.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2628 o EQ376
[ DDC862 ]
C2 ENERGY= 1160.2 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS2632 o EQ377
[ DDC863 ]
C1 ENERGY= 386.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS2633 o EQ378
[ DDC864 ]
C1 ENERGY= 758.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2638 o EQ379
[ DDC865 ]
C1 ENERGY= 883.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2639 o EQ379
[ DDC866 ]
C1 ENERGY= 725.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2640 o EQ379
[ DDC867 ]
C1 ENERGY= 503.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2641 o EQ380
[ DDC868 ]
C1 ENERGY= 896.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2642 o EQ380
[ DDC869 ]
C1 ENERGY= 896.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2643 o EQ381
[ DDC870 ]
C1 ENERGY= 503.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2644 o EQ381
[ DDC871 ]
C1 ENERGY= 816.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2647 o EQ382
[ DDC872 ]
C1 ENERGY= 791.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2648 o EQ383
[ DDC873 ]
C1 ENERGY= 492.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2649 o EQ384
[ DDC874 ]
C1 ENERGY= 478.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2650 o EQ384
[ DDC875 ]
C1 ENERGY= 410.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2654 o EQ385
[ DDC876 ]
C1 ENERGY= 1041.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2655 o EQ385
[ DDC877 ]
C1 ENERGY= 738.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2656 o EQ385
[ DDC878 ]
C1 ENERGY= 1161.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2657 o EQ385
[ DDC879 ]
C1 ENERGY= 734.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2668 o EQ386
[ DDC880 ]
C1 ENERGY= 1156.8 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2669 o EQ386
[ DDC881 ]
C1 ENERGY= 400.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2673 o EQ388
[ DDC882 ]
C1 ENERGY= 883.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2674 o EQ388
[ DDC883 ]
C1 ENERGY= 662.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2675 o EQ388
[ DDC884 ]
C1 ENERGY= 865.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2679 o EQ389
[ DDC885 ]
C1 ENERGY= 853.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2680 o EQ389
[ DDC886 ]
C1 ENERGY= 866.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2681 o EQ389
[ DDC887 ]
C1 ENERGY= 162.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2683 o EQ390
[ DDC888 ]
C1 ENERGY= 739.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2684 o EQ390
[ DDC889 ]
C1 ENERGY= 740.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2685 o EQ390
[ DDC890 ]
C1 ENERGY= 785.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2686 o EQ390
[ DDC891 ]
C1 ENERGY= 682.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2687 o EQ391
[ DDC892 ]
C1 ENERGY= 152.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2688 o EQ391
[ DDC893 ]
C1 ENERGY= 727.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2689 o EQ391
[ DDC894 ]
C1 ENERGY= 788.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2690 o EQ391
[ DDC895 ]
C1 ENERGY= 1048.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2697 o EQ392
[ DDC896 ]
C1 ENERGY= 1058.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2698 o EQ392
[ DDC897 ]
C1 ENERGY= 886.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2699 o EQ392
[ DDC898 ]
C1 ENERGY= 762.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2702 o EQ393
[ DDC899 ]
C1 ENERGY= 722.9 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2703 o EQ393
[ DDC900 ]
C1 ENERGY= 825.1 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2704 o EQ393
[ DDC901 ]
C1 ENERGY= 856.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2705 o EQ393
[ DDC902 ]
C1 ENERGY= 704.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2708 o EQ394
[ DDC903 ]
C1 ENERGY= 587.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2710 o EQ395
[ DDC904 ]
C1 ENERGY= 556.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2711 o EQ395
[ DDC905 ]
C1 ENERGY= 793.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2717 o EQ396
[ DDC906 ]
C1 ENERGY= 936.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2718 o EQ396
[ DDC907 ]
C1 ENERGY= 769.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS2719 o EQ396
[ DDC908 ]
C1 ENERGY= 694.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2722 o EQ398
[ DDC909 ]
C1 ENERGY= 552.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2723 o EQ398
[ DDC910 ]
C1 ENERGY= 690.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2725 o EQ399
[ DDC911 ]
C1 ENERGY= 842.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2733 o EQ400
[ DDC912 ]
C1 ENERGY= 792.2 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2736 o EQ401
[ DDC913 ]
C1 ENERGY= 875.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2737 o EQ401
[ DDC914 ]
C1 ENERGY= 670.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2739 o EQ403
[ DDC915 ]
C1 ENERGY= 1032.8 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2740 o EQ403
[ DDC916 ]
C1 ENERGY= 1038.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2741 o EQ403
[ DDC917 ]
C1 ENERGY= 603.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2742 o EQ404
[ DDC918 ]
C1 ENERGY= 373.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2743 o EQ404
[ DDC919 ]
C1 ENERGY= 704.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS2744 o EQ404
[ DDC920 ]
C1 ENERGY= 1252.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2749 o EQ405
[ DDC921 ]
C1 ENERGY= 1188.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2758 o EQ406
[ DDC922 ]
C1 ENERGY= 1251.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2759 o EQ406
[ DDC923 ]
Cs ENERGY= 927.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2763 o EQ408
[ DDC924 ]
C1 ENERGY= 801.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2770 o EQ409
[ DDC925 ]
C1 ENERGY= 1117.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2771 o EQ409
[ DDC926 ]
C1 ENERGY= 1238.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2772 o EQ409
[ DDC927 ]
C1 ENERGY= 1239.4 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS2776 o EQ410
[ DDC928 ]
C1 ENERGY= 679.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2781 o EQ412
[ DDC929 ]
C1 ENERGY= 710.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2782 o EQ412
[ DDC930 ]
C1 ENERGY= 535.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS2783 o EQ412
[ DDC931 ]
C1 ENERGY= 687.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2784 o EQ412
[ DDC932 ]
C1 ENERGY= 671.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2785 o EQ413
[ DDC933 ]
C1 ENERGY= 711.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2786 o EQ413
[ DDC934 ]
C1 ENERGY= 939.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2788 o EQ414
[ DDC935 ]
C1 ENERGY= 424.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2794 o EQ416
[ DDC936 ]
C1 ENERGY= 691.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS2795 o EQ416
[ DDC937 ]
C1 ENERGY= 685.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2799 o EQ418
[ DDC938 ]
C1 ENERGY= 688.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2800 o EQ418
[ DDC939 ]
C1 ENERGY= 942.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2807 o EQ419
[ DDC940 ]
C1 ENERGY= 901.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2808 o EQ419
[ DDC941 ]
C1 ENERGY= 1073.5 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS2813 o EQ421
[ DDC942 ]
C1 ENERGY= 1143.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2814 o EQ421
[ DDC943 ]
C1 ENERGY= 891.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2815 o EQ421
[ DDC944 ]
C1 ENERGY= 897.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2818 o EQ422
[ DDC945 ]
C1 ENERGY= 756.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2820 o EQ423
[ DDC946 ]
C1 ENERGY= 688.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2821 o EQ423
[ DDC947 ]
C1 ENERGY= 721.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2824 o EQ424
[ DDC948 ]
Cs ENERGY= 877.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2825 o EQ424
[ DDC949 ]
C1 ENERGY= 367.2 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS2827 o EQ426
[ DDC950 ]
Cs ENERGY= 972.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2828 o EQ426
[ DDC951 ]
C1 ENERGY= 369.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2829 o EQ426
[ DDC952 ]
C1 ENERGY= 492.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2834 o EQ427
[ DDC953 ]
C1 ENERGY= 952.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2835 o EQ427
[ DDC954 ]
C1 ENERGY= 668.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2836 o EQ428
[ DDC955 ]
C1 ENERGY= 701.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2837 o EQ428
[ DDC956 ]
Cs ENERGY= 840.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS2838 o EQ428
[ DDC957 ]
Cs ENERGY= 898.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2839 o EQ428
[ DDC958 ]
C1 ENERGY= 973.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2842 o EQ429
[ DDC959 ]
C1 ENERGY= 773.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2843 o EQ429
[ DDC960 ]
C1 ENERGY= 961.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2844 o EQ429
[ DDC961 ]
C1 ENERGY= 928.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2845 o EQ429
[ DDC962 ]
C1 ENERGY= 877.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2846 o EQ429
[ DDC963 ]
C1 ENERGY= 889.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2847 o EQ429
[ DDC964 ]
C1 ENERGY= 971.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2849 o EQ430
[ DDC965 ]
C1 ENERGY= 966.2 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS2850 o EQ430
[ DDC966 ]
C1 ENERGY= 980.4 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS2851 o EQ430
[ DDC967 ]
C1 ENERGY= 973.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2854 o EQ431
[ DDC968 ]
C1 ENERGY= 971.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2855 o EQ431
[ DDC969 ]
C1 ENERGY= 942.4 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS2856 o EQ431
[ DDC970 ]
C1 ENERGY= 974.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2857 o EQ431
[ DDC971 ]
C1 ENERGY= 969.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2858 o EQ431
[ DDC972 ]
C1 ENERGY= 1155.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2859 o EQ431
[ DDC973 ]
C1 ENERGY= 1064.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2860 o EQ431
[ DDC974 ]
C1 ENERGY= 1169.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2861 o EQ431
[ DDC975 ]
C1 ENERGY= 964.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2863 o EQ432
[ DDC976 ]
C1 ENERGY= 965.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2864 o EQ432
[ DDC977 ]
C1 ENERGY= 916.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2865 o EQ432
[ DDC978 ]
C1 ENERGY= 724.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2868 o EQ433
[ DDC979 ]
C1 ENERGY= 902.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2869 o EQ433
[ DDC980 ]
C1 ENERGY= 974.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2873 o EQ435
[ DDC981 ]
C1 ENERGY= 846.3 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2874 o EQ435
[ DDC982 ]
C1 ENERGY= 974.4 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS2875 o EQ435
[ DDC983 ]
C1 ENERGY= 963.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2876 o EQ435
[ DDC984 ]
C1 ENERGY= 979.0 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2877 o EQ435
[ DDC985 ]
C1 ENERGY= 1159.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2878 o EQ435
[ DDC986 ]
C1 ENERGY= 1109.2 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS2879 o EQ435
[ DDC987 ]
Cs ENERGY= 967.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2880 o EQ436
[ DDC988 ]
C1 ENERGY= 953.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2882 o EQ437
[ DDC989 ]
C1 ENERGY= 954.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2883 o EQ437
[ DDC990 ]
C1 ENERGY= 963.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2884 o EQ437
[ DDC991 ]
C1 ENERGY= 673.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2887 o EQ438
[ DDC992 ]
C1 ENERGY= 663.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2888 o EQ438
[ DDC993 ]
C1 ENERGY= 704.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2889 o EQ438
[ DDC994 ]
C1 ENERGY= 1145.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2890 o EQ438
[ DDC995 ]
C1 ENERGY= 663.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2891 o EQ438
[ DDC996 ]
C1 ENERGY= 654.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2892 o EQ438
[ DDC997 ]
C1 ENERGY= 954.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2893 o EQ439
[ DDC998 ]
C1 ENERGY= 960.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2894 o EQ439
[ DDC999 ]
C1 ENERGY= 769.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2895 o EQ439
[ DDC1000 ]
C1 ENERGY= 967.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2902 o EQ441
[ DDC1001 ]
C1 ENERGY= 778.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2904 o EQ442
[ DDC1002 ]
C1 ENERGY= 972.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2905 o EQ442
[ DDC1003 ]
C1 ENERGY= 852.2 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS2906 o EQ443
[ DDC1004 ]
C1 ENERGY= 1026.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2907 o EQ443
[ DDC1005 ]
C1 ENERGY= 1024.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2908 o EQ443
[ DDC1006 ]
C1 ENERGY= 1050.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2909 o EQ443
[ DDC1007 ]
C1 ENERGY= 684.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2910 o EQ444
[ DDC1008 ]
C1 ENERGY= 690.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2911 o EQ444
[ DDC1009 ]
C1 ENERGY= 836.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2912 o EQ444
[ DDC1010 ]
C1 ENERGY= 674.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS2913 o EQ444
[ DDC1011 ]
C1 ENERGY= 760.9 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS2922 o EQ446
[ DDC1012 ]
C1 ENERGY= 1187.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2930 o EQ447
[ DDC1013 ]
C1 ENERGY= 1016.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2931 o EQ448
[ DDC1014 ]
C1 ENERGY= 950.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2941 o EQ450
[ DDC1015 ]
C1 ENERGY= 477.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2946 o EQ451
[ DDC1016 ]
C1 ENERGY= 1224.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS2947 o EQ451
[ DDC1017 ]
C1 ENERGY= 945.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2952 o EQ452
[ DDC1018 ]
C1 ENERGY= 485.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2953 o EQ452
[ DDC1019 ]
C1 ENERGY= 889.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2959 o EQ454
[ DDC1020 ]
C1 ENERGY= 1016.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2960 o EQ455
[ DDC1021 ]
C1 ENERGY= 984.9 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS2961 o EQ455
[ DDC1022 ]
C1 ENERGY= 975.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2964 o EQ456
[ DDC1023 ]
C1 ENERGY= 479.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2965 o EQ456
[ DDC1024 ]
C1 ENERGY= 975.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS2966 o EQ457
[ DDC1025 ]
C1 ENERGY= 603.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS2972 o EQ458
[ DDC1026 ]
C1 ENERGY= 923.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2990 o EQ460
[ DDC1027 ]
C1 ENERGY= 917.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS2991 o EQ460
[ DDC1028 ]
C1 ENERGY= 824.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3002 o EQ461
[ DDC1029 ]
C1 ENERGY= 799.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3005 o EQ463
[ DDC1030 ]
C1 ENERGY= 1041.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3024 o EQ467
[ DDC1031 ]
C1 ENERGY= 627.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3044 o EQ474
[ DDC1032 ]
C1 ENERGY= 787.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3056 o EQ477
[ DDC1033 ]
C1 ENERGY= 830.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3057 o EQ477
[ DDC1034 ]
C1 ENERGY= 766.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3058 o EQ477
[ DDC1035 ]
C1 ENERGY= 911.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3059 o EQ477
[ DDC1036 ]
C1 ENERGY= 335.5 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3067 o EQ481
[ DDC1037 ]
C1 ENERGY= 1046.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3072 o EQ482
[ DDC1038 ]
C1 ENERGY= 415.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3073 o EQ482
[ DDC1039 ]
C1 ENERGY= 844.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3078 o EQ483
[ DDC1040 ]
C1 ENERGY= 492.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3079 o EQ483
[ DDC1041 ]
C1 ENERGY= 737.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3080 o EQ483
[ DDC1042 ]
C1 ENERGY= 800.8 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3081 o EQ483
[ DDC1043 ]
C1 ENERGY= 1032.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3082 o EQ483
[ DDC1044 ]
Cs ENERGY= 924.0 kJ/mol
FRAGMENTS:
CO CO HO HO
CONNECTIONS:
o TS3083 o EQ483
[ DDC1045 ]
C1 ENERGY= 716.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3084 o EQ483
[ DDC1046 ]
C1 ENERGY= 1147.0 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3085 o EQ483
[ DDC1047 ]
C1 ENERGY= 765.0 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3088 o EQ484
[ DDC1048 ]
C1 ENERGY= 813.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3089 o EQ484
[ DDC1049 ]
C1 ENERGY= 1016.0 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3091 o EQ485
[ DDC1050 ]
C1 ENERGY= 1061.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3099 o EQ486
[ DDC1051 ]
C1 ENERGY= 958.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3100 o EQ486
[ DDC1052 ]
C1 ENERGY= 932.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3101 o EQ486
[ DDC1053 ]
C1 ENERGY= 1050.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3102 o EQ487
[ DDC1054 ]
C1 ENERGY= 888.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3103 o EQ487
[ DDC1055 ]
C1 ENERGY= 1067.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3104 o EQ487
[ DDC1056 ]
C1 ENERGY= 643.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3105 o EQ487
[ DDC1057 ]
C1 ENERGY= 1049.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3106 o EQ488
[ DDC1058 ]
C1 ENERGY= 890.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3107 o EQ488
[ DDC1059 ]
C1 ENERGY= 893.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3108 o EQ488
[ DDC1060 ]
C1 ENERGY= 633.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3109 o EQ488
[ DDC1061 ]
C1 ENERGY= 799.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3114 o EQ489
[ DDC1062 ]
C1 ENERGY= 797.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3115 o EQ489
[ DDC1063 ]
C1 ENERGY= 742.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3116 o EQ489
[ DDC1064 ]
C1 ENERGY= 731.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3117 o EQ489
[ DDC1065 ]
C1 ENERGY= 789.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3120 o EQ490
[ DDC1066 ]
C1 ENERGY= 410.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3127 o EQ492
[ DDC1067 ]
C1 ENERGY= 1063.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3128 o EQ492
[ DDC1068 ]
C1 ENERGY= 895.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3129 o EQ492
[ DDC1069 ]
C1 ENERGY= 1089.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3130 o EQ492
[ DDC1070 ]
C1 ENERGY= 953.7 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3132 o EQ494
[ DDC1071 ]
C1 ENERGY= 743.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3139 o EQ497
[ DDC1072 ]
C1 ENERGY= 527.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3140 o EQ497
[ DDC1073 ]
C1 ENERGY= 573.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3141 o EQ497
[ DDC1074 ]
C1 ENERGY= 906.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3142 o EQ497
[ DDC1075 ]
C1 ENERGY= 448.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3143 o EQ497
[ DDC1076 ]
C1 ENERGY= 991.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3147 o EQ498
[ DDC1077 ]
C1 ENERGY= 764.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3148 o EQ498
[ DDC1078 ]
C1 ENERGY= 1010.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3149 o EQ498
[ DDC1079 ]
C1 ENERGY= 1003.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3151 o EQ499
[ DDC1080 ]
C1 ENERGY= 1060.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3153 o EQ500
[ DDC1081 ]
C1 ENERGY= 966.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3154 o EQ500
[ DDC1082 ]
C1 ENERGY= 590.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3158 o EQ503
[ DDC1083 ]
C1 ENERGY= 555.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3159 o EQ503
[ DDC1084 ]
C1 ENERGY= 1151.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3160 o EQ503
[ DDC1085 ]
C1 ENERGY= 1145.3 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3161 o EQ504
[ DDC1086 ]
C1 ENERGY= 1088.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3162 o EQ504
[ DDC1087 ]
C1 ENERGY= 1059.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3164 o EQ505
[ DDC1088 ]
C1 ENERGY= 966.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3166 o EQ506
[ DDC1089 ]
C1 ENERGY= 1107.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3169 o EQ508
[ DDC1090 ]
C1 ENERGY= 1021.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3170 o EQ508
[ DDC1091 ]
C1 ENERGY= 1131.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3171 o EQ508
[ DDC1092 ]
C1 ENERGY= 1349.0 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS3172 o EQ508
[ DDC1093 ]
C1 ENERGY= 1062.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3186 o EQ510
[ DDC1094 ]
C1 ENERGY= 1194.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3187 o EQ510
[ DDC1095 ]
C1 ENERGY= 1192.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3188 o EQ510
[ DDC1096 ]
C1 ENERGY= 1062.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3194 o EQ511
[ DDC1097 ]
C1 ENERGY= 1259.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3195 o EQ511
[ DDC1098 ]
C1 ENERGY= 1337.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3196 o EQ511
[ DDC1099 ]
C1 ENERGY= 844.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3201 o EQ512
[ DDC1100 ]
C1 ENERGY= 777.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3202 o EQ512
[ DDC1101 ]
C1 ENERGY= 763.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3203 o EQ512
[ DDC1102 ]
C1 ENERGY= 814.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3204 o EQ512
[ DDC1103 ]
C1 ENERGY= 671.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3205 o EQ512
[ DDC1104 ]
C1 ENERGY= 752.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3207 o EQ513
[ DDC1105 ]
C1 ENERGY= 916.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3208 o EQ513
[ DDC1106 ]
C1 ENERGY= 1151.1 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3211 o EQ514
[ DDC1107 ]
C1 ENERGY= 1160.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3212 o EQ514
[ DDC1108 ]
C1 ENERGY= 732.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3213 o EQ514
[ DDC1109 ]
C1 ENERGY= 919.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3214 o EQ514
[ DDC1110 ]
C1 ENERGY= 1065.6 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3215 o EQ514
[ DDC1111 ]
C1 ENERGY= 1179.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3216 o EQ516
[ DDC1112 ]
C1 ENERGY= 1223.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3217 o EQ516
[ DDC1113 ]
C1 ENERGY= 1054.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3218 o EQ516
[ DDC1114 ]
C1 ENERGY= 734.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3222 o EQ519
[ DDC1115 ]
Cs ENERGY= 1026.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3223 o EQ519
[ DDC1116 ]
C1 ENERGY= 782.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3224 o EQ519
[ DDC1117 ]
C1 ENERGY= 777.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3225 o EQ519
[ DDC1118 ]
C1 ENERGY= 1270.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3230 o EQ520
[ DDC1119 ]
C1 ENERGY= 732.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3232 o EQ521
[ DDC1120 ]
C1 ENERGY= 916.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3233 o EQ521
[ DDC1121 ]
Cs ENERGY= 1018.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3235 o EQ522
[ DDC1122 ]
C1 ENERGY= 767.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3236 o EQ522
[ DDC1123 ]
C1 ENERGY= 464.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3237 o EQ523
[ DDC1124 ]
C1 ENERGY= 881.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3238 o EQ523
[ DDC1125 ]
C1 ENERGY= 713.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3242 o EQ524
[ DDC1126 ]
C1 ENERGY= 889.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3243 o EQ524
[ DDC1127 ]
Cs ENERGY= 1071.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3245 o EQ525
[ DDC1128 ]
C1 ENERGY= 761.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3247 o EQ526
[ DDC1129 ]
C1 ENERGY= 774.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3248 o EQ526
[ DDC1130 ]
C1 ENERGY= 831.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3249 o EQ526
[ DDC1131 ]
C1 ENERGY= 1167.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3250 o EQ527
[ DDC1132 ]
C1 ENERGY= 728.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3251 o EQ527
[ DDC1133 ]
C1 ENERGY= 1038.1 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3252 o EQ527
[ DDC1134 ]
C1 ENERGY= 1144.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3256 o EQ528
[ DDC1135 ]
C1 ENERGY= 1355.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3257 o EQ528
[ DDC1136 ]
C1 ENERGY= 1170.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3258 o EQ529
[ DDC1137 ]
C1 ENERGY= 1053.7 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3259 o EQ529
[ DDC1138 ]
C1 ENERGY= 1344.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3260 o EQ529
[ DDC1139 ]
C1 ENERGY= 1056.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3268 o EQ532
[ DDC1140 ]
C1 ENERGY= 633.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3269 o EQ532
[ DDC1141 ]
Cs ENERGY= 1159.2 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3270 o EQ533
[ DDC1142 ]
C1 ENERGY= 1155.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3274 o EQ535
[ DDC1143 ]
C1 ENERGY= 1132.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3275 o EQ536
[ DDC1144 ]
C1 ENERGY= 1141.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3276 o EQ536
[ DDC1145 ]
C1 ENERGY= 483.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3277 o EQ536
[ DDC1146 ]
C1 ENERGY= 1058.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3278 o EQ536
[ DDC1147 ]
C1 ENERGY= 1167.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3279 o EQ537
[ DDC1148 ]
C1 ENERGY= 974.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3281 o EQ538
[ DDC1149 ]
C1 ENERGY= 866.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3282 o EQ538
[ DDC1150 ]
C1 ENERGY= 974.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3283 o EQ539
[ DDC1151 ]
C1 ENERGY= 897.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3284 o EQ539
[ DDC1152 ]
C1 ENERGY= 734.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3285 o EQ539
[ DDC1153 ]
C1 ENERGY= 816.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3287 o EQ540
[ DDC1154 ]
C1 ENERGY= 1332.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3288 o EQ540
[ DDC1155 ]
C1 ENERGY= 769.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3289 o EQ541
[ DDC1156 ]
Cs ENERGY= 1249.5 kJ/mol
FRAGMENTS:
CO2 CO2 H H
CONNECTIONS:
o TS3290 o EQ541
[ DDC1157 ]
C1 ENERGY= 1010.3 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3292 o EQ542
[ DDC1158 ]
C1 ENERGY= 1328.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3293 o EQ542
[ DDC1159 ]
C1 ENERGY= 825.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3296 o EQ544
[ DDC1160 ]
C1 ENERGY= 827.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3297 o EQ544
[ DDC1161 ]
C1 ENERGY= 798.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3298 o EQ544
[ DDC1162 ]
C1 ENERGY= 1244.3 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3299 o EQ544
[ DDC1163 ]
C1 ENERGY= 837.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3302 o EQ545
[ DDC1164 ]
C1 ENERGY= 1139.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3303 o EQ545
[ DDC1165 ]
C1 ENERGY= 799.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3304 o EQ545
[ DDC1166 ]
C1 ENERGY= 1210.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3305 o EQ545
[ DDC1167 ]
C1 ENERGY= 1318.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3308 o EQ546
[ DDC1168 ]
C1 ENERGY= 1256.4 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3314 o EQ547
[ DDC1169 ]
C1 ENERGY= 1073.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3315 o EQ547
[ DDC1170 ]
Cs ENERGY= 1263.4 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3316 o EQ548
[ DDC1171 ]
C1 ENERGY= 1129.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3318 o EQ550
[ DDC1172 ]
C1 ENERGY= 1227.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3320 o EQ551
[ DDC1173 ]
C1 ENERGY= 1223.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3323 o EQ552
[ DDC1174 ]
C1 ENERGY= 840.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3324 o EQ552
[ DDC1175 ]
C1 ENERGY= 740.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3325 o EQ552
[ DDC1176 ]
C1 ENERGY= 1252.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3326 o EQ553
[ DDC1177 ]
C1 ENERGY= 1260.0 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3327 o EQ553
[ DDC1178 ]
C1 ENERGY= 1122.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3328 o EQ553
[ DDC1179 ]
C1 ENERGY= 1248.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3330 o EQ554
[ DDC1180 ]
C1 ENERGY= 1263.3 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3331 o EQ554
[ DDC1181 ]
C1 ENERGY= 1299.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3332 o EQ554
[ DDC1182 ]
C1 ENERGY= 1111.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3333 o EQ554
[ DDC1183 ]
C1 ENERGY= 1239.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3336 o EQ555
[ DDC1184 ]
C1 ENERGY= 517.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3337 o EQ555
[ DDC1185 ]
C1 ENERGY= 1235.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3338 o EQ555
[ DDC1186 ]
C1 ENERGY= 846.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3339 o EQ555
[ DDC1187 ]
C1 ENERGY= 500.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3341 o EQ556
[ DDC1188 ]
C1 ENERGY= 1239.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3342 o EQ556
[ DDC1189 ]
C1 ENERGY= 1049.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3343 o EQ557
[ DDC1190 ]
C1 ENERGY= 1251.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3344 o EQ557
[ DDC1191 ]
C1 ENERGY= 1284.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3345 o EQ557
[ DDC1192 ]
C1 ENERGY= 892.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3348 o EQ558
[ DDC1193 ]
C1 ENERGY= 888.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3349 o EQ558
[ DDC1194 ]
C1 ENERGY= 893.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3350 o EQ558
[ DDC1195 ]
C1 ENERGY= 1419.2 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3351 o EQ558
[ DDC1196 ]
C1 ENERGY= 1247.7 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3352 o EQ558
[ DDC1197 ]
C1 ENERGY= 735.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3358 o EQ560
[ DDC1198 ]
C1 ENERGY= 843.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3359 o EQ560
[ DDC1199 ]
Cs ENERGY= 1138.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3360 o EQ560
[ DDC1200 ]
C1 ENERGY= 1009.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3361 o EQ560
[ DDC1201 ]
Cs ENERGY= 1257.5 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3364 o EQ561
[ DDC1202 ]
C1 ENERGY= 1292.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3365 o EQ561
[ DDC1203 ]
C1 ENERGY= 744.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3366 o EQ561
[ DDC1204 ]
C1 ENERGY= 1136.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3367 o EQ561
[ DDC1205 ]
C1 ENERGY= 995.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3368 o EQ561
[ DDC1206 ]
C1 ENERGY= 994.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3369 o EQ561
[ DDC1207 ]
C1 ENERGY= 767.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3372 o EQ562
[ DDC1208 ]
C1 ENERGY= 906.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3375 o EQ564
[ DDC1209 ]
Cs ENERGY= 1255.1 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS3376 o EQ564
[ DDC1210 ]
C1 ENERGY= 862.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3377 o EQ564
[ DDC1211 ]
C1 ENERGY= 921.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3379 o EQ565
[ DDC1212 ]
C1 ENERGY= 1261.9 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3380 o EQ565
[ DDC1213 ]
C1 ENERGY= 855.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3381 o EQ565
[ DDC1214 ]
C1 ENERGY= 1076.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3382 o EQ566
[ DDC1215 ]
Cs ENERGY= 1269.2 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3383 o EQ567
[ DDC1216 ]
C1 ENERGY= 873.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3385 o EQ568
[ DDC1217 ]
C1 ENERGY= 1281.8 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3386 o EQ568
[ DDC1218 ]
C1 ENERGY= 1345.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3387 o EQ568
[ DDC1219 ]
Cs ENERGY= 1300.8 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3389 o EQ569
[ DDC1220 ]
C1 ENERGY= 1152.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3390 o EQ569
[ DDC1221 ]
C1 ENERGY= 828.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3391 o EQ569
[ DDC1222 ]
C1 ENERGY= 991.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3392 o EQ569
[ DDC1223 ]
C1 ENERGY= 900.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3394 o EQ570
[ DDC1224 ]
C1 ENERGY= 847.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3395 o EQ570
[ DDC1225 ]
C1 ENERGY= 907.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3396 o EQ570
[ DDC1226 ]
C1 ENERGY= 1438.2 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3397 o EQ570
[ DDC1227 ]
C1 ENERGY= 877.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3398 o EQ572
[ DDC1228 ]
C1 ENERGY= 806.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3402 o EQ573
[ DDC1229 ]
C1 ENERGY= 1174.6 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3403 o EQ573
[ DDC1230 ]
C1 ENERGY= 876.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3404 o EQ575
[ DDC1231 ]
C1 ENERGY= 1289.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3405 o EQ576
[ DDC1232 ]
C1 ENERGY= 1293.3 kJ/mol
FRAGMENTS:
HC2O HO O2
CONNECTIONS:
o TS3406 o EQ576
[ DDC1233 ]
C1 ENERGY= 1134.2 kJ/mol
FRAGMENTS:
C2O H2O O2
CONNECTIONS:
o TS3407 o EQ576
[ DDC1234 ]
C1 ENERGY= 1314.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3408 o EQ576
[ DDC1235 ]
C1 ENERGY= 1287.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3409 o EQ577
[ DDC1236 ]
C1 ENERGY= 1134.2 kJ/mol
FRAGMENTS:
C2O H2O O2
CONNECTIONS:
o TS3410 o EQ577
[ DDC1237 ]
C1 ENERGY= 1373.2 kJ/mol
FRAGMENTS:
HC2O HO O2
CONNECTIONS:
o TS3411 o EQ577
[ DDC1238 ]
C1 ENERGY= 1392.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3412 o EQ577
[ DDC1239 ]
C1 ENERGY= 1334.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3415 o EQ578
[ DDC1240 ]
C1 ENERGY= 1338.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3418 o EQ579
[ DDC1241 ]
C1 ENERGY= 1334.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3419 o EQ579
[ DDC1242 ]
C1 ENERGY= -53.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3420 o DDC1243
[ DDC1243 ]
C1 ENERGY= -53.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3420 o DDC1242
[ DDC1244 ]
C1 ENERGY= -31.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3421 o DDC1245
[ DDC1245 ]
C1 ENERGY= -57.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3421 o DDC1244
[ DDC1246 ]
C1 ENERGY= 45.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3422 o DDC1247
[ DDC1247 ]
C1 ENERGY= 38.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3422 o DDC1246
[ DDC1248 ]
C1 ENERGY= 131.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3423 o DDC1249
[ DDC1249 ]
Cs ENERGY= 133.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3423 o DDC1248
[ DDC1250 ]
C1 ENERGY= 146.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3424 o DDC1251
[ DDC1251 ]
C1 ENERGY= 174.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3424 o DDC1250
[ DDC1252 ]
C1 ENERGY= 42.8 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3425 o DDC1253
[ DDC1253 ]
C1 ENERGY= 225.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3425 o DDC1252
[ DDC1254 ]
C1 ENERGY= 35.3 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3426 o DDC1255
[ DDC1255 ]
C1 ENERGY= -49.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3426 o DDC1254
[ DDC1256 ]
C1 ENERGY= 139.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3427 o DDC1257
[ DDC1257 ]
C1 ENERGY= 36.4 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3427 o DDC1256
[ DDC1258 ]
C1 ENERGY= 148.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3428 o DDC1259
[ DDC1259 ]
C1 ENERGY= -53.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3428 o DDC1258
[ DDC1260 ]
C1 ENERGY= 325.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3429 o DDC1261
[ DDC1261 ]
C1 ENERGY= 37.5 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3429 o DDC1260
[ DDC1262 ]
C1 ENERGY= 59.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3430 o DDC1263
[ DDC1263 ]
C1 ENERGY= 153.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3430 o DDC1262
[ DDC1264 ]
C1 ENERGY= 154.9 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3431 o DDC1265
[ DDC1265 ]
C1 ENERGY= 38.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3431 o DDC1264
[ DDC1266 ]
C1 ENERGY= 44.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3432 o DDC1267
[ DDC1267 ]
C1 ENERGY= 157.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3432 o DDC1266
[ DDC1268 ]
C1 ENERGY= -64.3 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3433 o DDC1269
[ DDC1269 ]
Cs ENERGY= 385.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3433 o DDC1268
[ DDC1270 ]
C1 ENERGY= 381.6 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3434 o DDC1271
[ DDC1271 ]
C1 ENERGY= 393.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3434 o DDC1270
[ DDC1272 ]
Cs ENERGY= 128.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3435 o DDC1273
[ DDC1273 ]
C1 ENERGY= 391.9 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3435 o DDC1272
[ DDC1274 ]
C1 ENERGY= 387.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3436 o DDC1275
[ DDC1275 ]
C1 ENERGY= 386.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3436 o DDC1274
[ DDC1276 ]
C1 ENERGY= 359.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3437 o DDC1277
[ DDC1277 ]
C1 ENERGY= 346.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3437 o DDC1276
[ DDC1278 ]
C1 ENERGY= 158.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3438 o DDC1279
[ DDC1279 ]
C1 ENERGY= 399.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3438 o DDC1278
[ DDC1280 ]
Cs ENERGY= -45.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3439 o DDC1281
[ DDC1281 ]
C1 ENERGY= 335.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3439 o DDC1280
[ DDC1282 ]
C1 ENERGY= 409.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3440 o DDC1283
[ DDC1283 ]
C1 ENERGY= 408.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3440 o DDC1282
[ DDC1284 ]
C1 ENERGY= 54.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3441 o DDC1285
[ DDC1285 ]
C1 ENERGY= -18.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3441 o DDC1284
[ DDC1286 ]
C1 ENERGY= 352.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3442 o DDC1287
[ DDC1287 ]
Cs ENERGY= 385.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3442 o DDC1286
[ DDC1288 ]
C1 ENERGY= 108.2 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3443 o DDC1289
[ DDC1289 ]
C1 ENERGY= 413.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3443 o DDC1288
[ DDC1290 ]
C1 ENERGY= 427.2 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3444 o DDC1291
[ DDC1291 ]
C1 ENERGY= 419.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3444 o DDC1290
[ DDC1292 ]
C1 ENERGY= 353.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3445 o DDC1293
[ DDC1293 ]
C1 ENERGY= -33.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3445 o DDC1292
[ DDC1294 ]
C1 ENERGY= 461.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3446 o DDC1295
[ DDC1295 ]
C1 ENERGY= 461.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3446 o DDC1294
[ DDC1296 ]
Cs ENERGY= 468.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3447 o DDC1297
[ DDC1297 ]
Cs ENERGY= 473.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3447 o DDC1296
[ DDC1298 ]
C1 ENERGY= 475.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3448 o DDC1299
[ DDC1299 ]
C1 ENERGY= 475.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3448 o DDC1298
[ DDC1300 ]
C1 ENERGY= 433.3 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3449 o DDC1301
[ DDC1301 ]
Cs ENERGY= 408.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3449 o DDC1300
[ DDC1302 ]
C1 ENERGY= 406.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3450 o DDC1303
[ DDC1303 ]
C1 ENERGY= 312.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3450 o DDC1302
[ DDC1304 ]
C1 ENERGY= 271.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3451 o DDC1305
[ DDC1305 ]
C1 ENERGY= 479.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3451 o DDC1304
[ DDC1306 ]
C1 ENERGY= 116.3 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3452 o DDC1307
[ DDC1307 ]
C1 ENERGY= 162.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3452 o DDC1306
[ DDC1308 ]
C1 ENERGY= 180.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3453 o DDC1309
[ DDC1309 ]
C1 ENERGY= 71.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3453 o DDC1308
[ DDC1310 ]
C1 ENERGY= 501.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3454 o DDC1311
[ DDC1311 ]
C1 ENERGY= 505.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3454 o DDC1310
[ DDC1312 ]
C1 ENERGY= 499.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3455 o DDC1313
[ DDC1313 ]
C1 ENERGY= 504.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3455 o DDC1312
[ DDC1314 ]
Cs ENERGY= 463.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3456 o DDC1315
[ DDC1315 ]
C1 ENERGY= 498.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3456 o DDC1314
[ DDC1316 ]
C1 ENERGY= 160.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3457 o DDC1317
[ DDC1317 ]
C1 ENERGY= 154.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3457 o DDC1316
[ DDC1318 ]
C1 ENERGY= 155.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3458 o DDC1319
[ DDC1319 ]
C1 ENERGY= 160.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3458 o DDC1318
[ DDC1320 ]
C1 ENERGY= 112.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3459 o DDC1321
[ DDC1321 ]
C1 ENERGY= 103.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3459 o DDC1320
[ DDC1322 ]
C1 ENERGY= 460.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3460 o DDC1323
[ DDC1323 ]
C1 ENERGY= 171.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3460 o DDC1322
[ DDC1324 ]
C1 ENERGY= 473.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3461 o DDC1325
[ DDC1325 ]
C1 ENERGY= 128.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3461 o DDC1324
[ DDC1326 ]
C1 ENERGY= 377.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3462 o DDC1327
[ DDC1327 ]
C1 ENERGY= -10.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3462 o DDC1326
[ DDC1328 ]
C1 ENERGY= 356.2 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3463 o DDC1329
[ DDC1329 ]
C1 ENERGY= 133.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3463 o DDC1328
[ DDC1330 ]
C1 ENERGY= 363.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3464 o DDC1331
[ DDC1331 ]
C1 ENERGY= 25.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3464 o DDC1330
[ DDC1332 ]
C1 ENERGY= 26.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3465 o DDC1333
[ DDC1333 ]
C1 ENERGY= 435.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3465 o DDC1332
[ DDC1334 ]
C1 ENERGY= 18.5 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3466 o DDC1335
[ DDC1335 ]
C1 ENERGY= 53.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3466 o DDC1334
[ DDC1336 ]
C1 ENERGY= 542.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3467 o DDC1337
[ DDC1337 ]
C1 ENERGY= 166.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3467 o DDC1336
[ DDC1338 ]
C1 ENERGY= 431.9 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3468 o DDC1339
[ DDC1339 ]
C1 ENERGY= 64.1 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3468 o DDC1338
[ DDC1340 ]
C1 ENERGY= 490.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3469 o DDC1341
[ DDC1341 ]
C1 ENERGY= 73.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3469 o DDC1340
[ DDC1342 ]
C2 ENERGY= 32.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3470 o DDC1343
[ DDC1343 ]
C2 ENERGY= 476.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3470 o DDC1342
[ DDC1344 ]
C1 ENERGY= 396.1 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3471 o DDC1345
[ DDC1345 ]
C1 ENERGY= 395.3 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3471 o DDC1344
[ DDC1346 ]
C1 ENERGY= 525.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3472 o DDC1347
[ DDC1347 ]
C1 ENERGY= 430.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3472 o DDC1346
[ DDC1348 ]
C1 ENERGY= 566.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3473 o DDC1349
[ DDC1349 ]
C1 ENERGY= 567.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3473 o DDC1348
[ DDC1350 ]
C1 ENERGY= 345.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3474 o DDC1351
[ DDC1351 ]
C1 ENERGY= 144.7 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3474 o DDC1350
[ DDC1352 ]
C1 ENERGY= 47.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3475 o DDC1353
[ DDC1353 ]
C1 ENERGY= 494.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3475 o DDC1352
[ DDC1354 ]
C1 ENERGY= 40.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3476 o DDC1355
[ DDC1355 ]
C1 ENERGY= 49.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3476 o DDC1354
[ DDC1356 ]
C1 ENERGY= 560.5 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3477 o DDC1357
[ DDC1357 ]
C1 ENERGY= 114.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3477 o DDC1356
[ DDC1358 ]
C1 ENERGY= 400.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3478 o DDC1359
[ DDC1359 ]
C1 ENERGY= 413.7 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3478 o DDC1358
[ DDC1360 ]
C1 ENERGY= 588.2 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3479 o DDC1361
[ DDC1361 ]
C1 ENERGY= 588.2 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3479 o DDC1360
[ DDC1362 ]
C1 ENERGY= 118.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3480 o DDC1363
[ DDC1363 ]
C1 ENERGY= 97.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3480 o DDC1362
[ DDC1364 ]
C1 ENERGY= 501.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3481 o DDC1365
[ DDC1365 ]
C1 ENERGY= 49.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3481 o DDC1364
[ DDC1366 ]
C1 ENERGY= 365.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3482 o DDC1367
[ DDC1367 ]
Cs ENERGY= 29.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3482 o DDC1366
[ DDC1368 ]
C1 ENERGY= 529.3 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3483 o DDC1369
[ DDC1369 ]
C1 ENERGY= 586.6 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3483 o DDC1368
[ DDC1370 ]
C1 ENERGY= 583.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3484 o DDC1371
[ DDC1371 ]
C1 ENERGY= 590.3 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3484 o DDC1370
[ DDC1372 ]
C1 ENERGY= 547.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3485 o DDC1373
[ DDC1373 ]
C1 ENERGY= 510.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3485 o DDC1372
[ DDC1374 ]
Cs ENERGY= 481.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3486 o DDC1375
[ DDC1375 ]
C1 ENERGY= 598.7 kJ/mol
FRAGMENTS:
HCO2 CO2 H
CONNECTIONS:
o TS3486 o DDC1374
[ DDC1376 ]
Cs ENERGY= 553.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3487 o DDC1377
[ DDC1377 ]
C1 ENERGY= 155.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3487 o DDC1376
[ DDC1378 ]
C1 ENERGY= 470.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3488 o DDC1379
[ DDC1379 ]
C1 ENERGY= 527.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3488 o DDC1378
[ DDC1380 ]
C1 ENERGY= 431.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3489 o DDC1381
[ DDC1381 ]
C1 ENERGY= 528.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3489 o DDC1380
[ DDC1382 ]
C1 ENERGY= 79.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3490 o DDC1383
[ DDC1383 ]
C1 ENERGY= 397.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3490 o DDC1382
[ DDC1384 ]
C1 ENERGY= -16.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3491 o DDC1385
[ DDC1385 ]
C1 ENERGY= 566.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3491 o DDC1384
[ DDC1386 ]
C1 ENERGY= 613.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3492 o DDC1387
[ DDC1387 ]
C1 ENERGY= 612.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3492 o DDC1386
[ DDC1388 ]
C1 ENERGY= 499.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3493 o DDC1389
[ DDC1389 ]
C1 ENERGY= 158.9 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3493 o DDC1388
[ DDC1390 ]
C1 ENERGY= 547.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3494 o DDC1391
[ DDC1391 ]
C1 ENERGY= 476.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3494 o DDC1390
[ DDC1392 ]
C1 ENERGY= -24.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3495 o DDC1393
[ DDC1393 ]
C1 ENERGY= 359.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3495 o DDC1392
[ DDC1394 ]
C1 ENERGY= 612.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3496 o DDC1395
[ DDC1395 ]
C1 ENERGY= 612.7 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3496 o DDC1394
[ DDC1396 ]
C1 ENERGY= 615.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3497 o DDC1397
[ DDC1397 ]
C1 ENERGY= 612.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3497 o DDC1396
[ DDC1398 ]
C1 ENERGY= 499.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3498 o DDC1399
[ DDC1399 ]
C1 ENERGY= 532.3 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3498 o DDC1398
[ DDC1400 ]
C1 ENERGY= 387.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3499 o DDC1401
[ DDC1401 ]
C1 ENERGY= 23.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3499 o DDC1400
[ DDC1402 ]
C1 ENERGY= 500.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3500 o DDC1403
[ DDC1403 ]
C1 ENERGY= 532.0 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3500 o DDC1402
[ DDC1404 ]
C1 ENERGY= 619.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3501 o DDC1405
[ DDC1405 ]
C1 ENERGY= 618.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3501 o DDC1404
[ DDC1406 ]
C1 ENERGY= 584.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3502 o DDC1407
[ DDC1407 ]
C1 ENERGY= 610.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3502 o DDC1406
[ DDC1408 ]
C1 ENERGY= 541.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3503 o DDC1409
[ DDC1409 ]
C1 ENERGY= 503.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3503 o DDC1408
[ DDC1410 ]
C1 ENERGY= 360.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3504 o DDC1411
[ DDC1411 ]
C1 ENERGY= 444.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3504 o DDC1410
[ DDC1412 ]
C1 ENERGY= 619.3 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3505 o DDC1413
[ DDC1413 ]
Cs ENERGY= 351.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3505 o DDC1412
[ DDC1414 ]
Cs ENERGY= 353.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3506 o DDC1415
[ DDC1415 ]
C1 ENERGY= 165.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3506 o DDC1414
[ DDC1416 ]
C1 ENERGY= 504.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3507 o DDC1417
[ DDC1417 ]
C1 ENERGY= 545.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3507 o DDC1416
[ DDC1418 ]
C1 ENERGY= 525.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3508 o DDC1419
[ DDC1419 ]
C1 ENERGY= 534.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3508 o DDC1418
[ DDC1420 ]
C1 ENERGY= -28.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3509 o DDC1421
[ DDC1421 ]
C1 ENERGY= 355.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3509 o DDC1420
[ DDC1422 ]
C1 ENERGY= 118.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3510 o DDC1423
[ DDC1423 ]
C1 ENERGY= 125.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3510 o DDC1422
[ DDC1424 ]
C1 ENERGY= 427.6 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3511 o DDC1425
[ DDC1425 ]
C1 ENERGY= 359.8 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3511 o DDC1424
[ DDC1426 ]
C1 ENERGY= 634.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3512 o DDC1427
[ DDC1427 ]
C1 ENERGY= 634.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3512 o DDC1426
[ DDC1428 ]
C1 ENERGY= 585.5 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3513 o DDC1429
[ DDC1429 ]
Cs ENERGY= 502.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3513 o DDC1428
[ DDC1430 ]
C1 ENERGY= 74.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3514 o DDC1431
[ DDC1431 ]
C1 ENERGY= 348.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3514 o DDC1430
[ DDC1432 ]
C1 ENERGY= 404.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3515 o DDC1433
[ DDC1433 ]
C1 ENERGY= 487.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3515 o DDC1432
[ DDC1434 ]
C1 ENERGY= 352.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3516 o DDC1435
[ DDC1435 ]
C1 ENERGY= 68.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3516 o DDC1434
[ DDC1436 ]
C1 ENERGY= 90.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3517 o DDC1437
[ DDC1437 ]
C1 ENERGY= 629.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3517 o DDC1436
[ DDC1438 ]
C1 ENERGY= 650.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3518 o DDC1439
[ DDC1439 ]
C1 ENERGY= 645.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3518 o DDC1438
[ DDC1440 ]
C1 ENERGY= 45.6 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3519 o DDC1441
[ DDC1441 ]
C1 ENERGY= 627.0 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3519 o DDC1440
[ DDC1442 ]
C1 ENERGY= 329.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3520 o DDC1443
[ DDC1443 ]
C1 ENERGY= 503.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3520 o DDC1442
[ DDC1444 ]
C2 ENERGY= 573.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3521 o DDC1445
[ DDC1445 ]
C2 ENERGY= 523.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3521 o DDC1444
[ DDC1446 ]
C1 ENERGY= 358.5 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3522 o DDC1447
[ DDC1447 ]
C1 ENERGY= 634.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3522 o DDC1446
[ DDC1448 ]
C1 ENERGY= 668.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3523 o DDC1449
[ DDC1449 ]
C1 ENERGY= 663.1 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3523 o DDC1448
[ DDC1450 ]
C1 ENERGY= 669.9 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3524 o DDC1451
[ DDC1451 ]
C1 ENERGY= 670.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3524 o DDC1450
[ DDC1452 ]
C1 ENERGY= 331.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3525 o DDC1453
[ DDC1453 ]
C1 ENERGY= 617.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3525 o DDC1452
[ DDC1454 ]
C1 ENERGY= 468.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3526 o DDC1455
[ DDC1455 ]
C1 ENERGY= 651.4 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3526 o DDC1454
[ DDC1456 ]
C1 ENERGY= 662.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3527 o DDC1457
[ DDC1457 ]
C1 ENERGY= 633.6 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3527 o DDC1456
[ DDC1458 ]
C1 ENERGY= 237.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3528 o DDC1459
[ DDC1459 ]
C1 ENERGY= -14.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3528 o DDC1458
[ DDC1460 ]
C1 ENERGY= 373.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3529 o DDC1461
[ DDC1461 ]
C1 ENERGY= 649.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3529 o DDC1460
[ DDC1462 ]
C1 ENERGY= 432.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3530 o DDC1463
[ DDC1463 ]
C1 ENERGY= 427.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3530 o DDC1462
[ DDC1464 ]
C1 ENERGY= 546.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3531 o DDC1465
[ DDC1465 ]
C1 ENERGY= 387.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3531 o DDC1464
[ DDC1466 ]
C1 ENERGY= 431.0 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3532 o DDC1467
[ DDC1467 ]
C1 ENERGY= 549.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3532 o DDC1466
[ DDC1468 ]
C1 ENERGY= 561.9 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3533 o DDC1469
[ DDC1469 ]
C1 ENERGY= 679.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3533 o DDC1468
[ DDC1470 ]
C1 ENERGY= 668.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3534 o DDC1471
[ DDC1471 ]
C1 ENERGY= 667.2 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3534 o DDC1470
[ DDC1472 ]
C1 ENERGY= 659.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3535 o DDC1473
[ DDC1473 ]
C1 ENERGY= 658.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3535 o DDC1472
[ DDC1474 ]
C1 ENERGY= 431.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3536 o DDC1475
[ DDC1475 ]
C1 ENERGY= 361.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3536 o DDC1474
[ DDC1476 ]
C1 ENERGY= 628.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3537 o DDC1477
[ DDC1477 ]
Cs ENERGY= 525.1 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3537 o DDC1476
[ DDC1478 ]
C1 ENERGY= 594.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3538 o DDC1479
[ DDC1479 ]
C1 ENERGY= 664.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3538 o DDC1478
[ DDC1480 ]
Cs ENERGY= 633.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3539 o DDC1481
[ DDC1481 ]
Cs ENERGY= 541.9 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3539 o DDC1480
[ DDC1482 ]
C1 ENERGY= 547.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3540 o DDC1483
[ DDC1483 ]
C1 ENERGY= 629.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3540 o DDC1482
[ DDC1484 ]
C1 ENERGY= 139.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3541 o DDC1485
[ DDC1485 ]
C1 ENERGY= 447.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3541 o DDC1484
[ DDC1486 ]
C1 ENERGY= 540.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3542 o DDC1487
[ DDC1487 ]
C1 ENERGY= 624.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3542 o DDC1486
[ DDC1488 ]
C1 ENERGY= -48.9 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3543 o DDC1489
[ DDC1489 ]
C1 ENERGY= 641.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3543 o DDC1488
[ DDC1490 ]
C1 ENERGY= 679.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3544 o DDC1491
[ DDC1491 ]
C1 ENERGY= 554.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3544 o DDC1490
[ DDC1492 ]
C1 ENERGY= 553.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3545 o DDC1493
[ DDC1493 ]
C1 ENERGY= 679.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3545 o DDC1492
[ DDC1494 ]
C1 ENERGY= 694.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3546 o DDC1495
[ DDC1495 ]
C1 ENERGY= 671.1 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS3546 o DDC1494
[ DDC1496 ]
C1 ENERGY= 116.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3547 o DDC1497
[ DDC1497 ]
C1 ENERGY= 551.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3547 o DDC1496
[ DDC1498 ]
Cs ENERGY= 691.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3548 o DDC1499
[ DDC1499 ]
Cs ENERGY= 682.2 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3548 o DDC1498
[ DDC1500 ]
Cs ENERGY= 503.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3549 o DDC1501
[ DDC1501 ]
Cs ENERGY= 503.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3549 o DDC1500
[ DDC1502 ]
C1 ENERGY= -60.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3550 o DDC1503
[ DDC1503 ]
C1 ENERGY= 677.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3550 o DDC1502
[ DDC1504 ]
C1 ENERGY= 651.5 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3551 o DDC1505
[ DDC1505 ]
C1 ENERGY= 594.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3551 o DDC1504
[ DDC1506 ]
C1 ENERGY= 505.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3552 o DDC1507
[ DDC1507 ]
C1 ENERGY= 500.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3552 o DDC1506
[ DDC1508 ]
C1 ENERGY= 385.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3553 o DDC1509
[ DDC1509 ]
C1 ENERGY= 385.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3553 o DDC1508
[ DDC1510 ]
C1 ENERGY= 646.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3554 o DDC1511
[ DDC1511 ]
C1 ENERGY= 565.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3554 o DDC1510
[ DDC1512 ]
C1 ENERGY= 693.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3555 o DDC1513
[ DDC1513 ]
C1 ENERGY= 386.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3555 o DDC1512
[ DDC1514 ]
C1 ENERGY= 679.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3556 o DDC1515
[ DDC1515 ]
C1 ENERGY= 620.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3556 o DDC1514
[ DDC1516 ]
C1 ENERGY= 685.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3557 o DDC1517
[ DDC1517 ]
C1 ENERGY= 565.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3557 o DDC1516
[ DDC1518 ]
C1 ENERGY= 623.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3558 o DDC1519
[ DDC1519 ]
C1 ENERGY= 686.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3558 o DDC1518
[ DDC1520 ]
C1 ENERGY= 667.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3559 o DDC1521
[ DDC1521 ]
C1 ENERGY= 444.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3559 o DDC1520
[ DDC1522 ]
C1 ENERGY= 696.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3560 o DDC1523
[ DDC1523 ]
C1 ENERGY= 696.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3560 o DDC1522
[ DDC1524 ]
C1 ENERGY= 442.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3561 o DDC1525
[ DDC1525 ]
C1 ENERGY= 397.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3561 o DDC1524
[ DDC1526 ]
C1 ENERGY= 565.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3562 o DDC1527
[ DDC1527 ]
C1 ENERGY= 651.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3562 o DDC1526
[ DDC1528 ]
C1 ENERGY= 686.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3563 o DDC1529
[ DDC1529 ]
C1 ENERGY= 706.1 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3563 o DDC1528
[ DDC1530 ]
C1 ENERGY= 434.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3564 o DDC1531
[ DDC1531 ]
C1 ENERGY= 654.2 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3564 o DDC1530
[ DDC1532 ]
C1 ENERGY= 461.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3565 o DDC1533
[ DDC1533 ]
C1 ENERGY= 416.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3565 o DDC1532
[ DDC1534 ]
C1 ENERGY= 676.8 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS3566 o DDC1535
[ DDC1535 ]
Cs ENERGY= 392.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3566 o DDC1534
[ DDC1536 ]
C1 ENERGY= 713.1 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3567 o DDC1537
[ DDC1537 ]
C1 ENERGY= 702.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3567 o DDC1536
[ DDC1538 ]
C1 ENERGY= 703.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3568 o DDC1539
[ DDC1539 ]
C1 ENERGY= 712.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3568 o DDC1538
[ DDC1540 ]
C1 ENERGY= 96.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3569 o DDC1541
[ DDC1541 ]
C1 ENERGY= 402.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3569 o DDC1540
[ DDC1542 ]
C1 ENERGY= 438.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3570 o DDC1543
[ DDC1543 ]
C1 ENERGY= 393.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3570 o DDC1542
[ DDC1544 ]
C1 ENERGY= 716.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3571 o DDC1545
[ DDC1545 ]
C1 ENERGY= 718.8 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3571 o DDC1544
[ DDC1546 ]
C1 ENERGY= 720.9 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3572 o DDC1547
[ DDC1547 ]
C1 ENERGY= 722.0 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3572 o DDC1546
[ DDC1548 ]
C1 ENERGY= 722.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3573 o DDC1549
[ DDC1549 ]
C1 ENERGY= 722.2 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3573 o DDC1548
[ DDC1550 ]
C1 ENERGY= 512.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3574 o DDC1551
[ DDC1551 ]
C1 ENERGY= 635.8 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3574 o DDC1550
[ DDC1552 ]
C1 ENERGY= 713.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3575 o DDC1553
[ DDC1553 ]
C1 ENERGY= 712.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3575 o DDC1552
[ DDC1554 ]
C1 ENERGY= 459.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3576 o DDC1555
[ DDC1555 ]
C1 ENERGY= 714.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3576 o DDC1554
[ DDC1556 ]
C1 ENERGY= 705.8 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3577 o DDC1557
[ DDC1557 ]
C1 ENERGY= 671.4 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3577 o DDC1556
[ DDC1558 ]
C1 ENERGY= 68.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3578 o DDC1559
[ DDC1559 ]
C1 ENERGY= 442.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3578 o DDC1558
[ DDC1560 ]
C1 ENERGY= 709.7 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3579 o DDC1561
[ DDC1561 ]
C1 ENERGY= 651.8 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3579 o DDC1560
[ DDC1562 ]
C1 ENERGY= 729.2 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3580 o DDC1563
[ DDC1563 ]
C1 ENERGY= 434.9 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3580 o DDC1562
[ DDC1564 ]
C1 ENERGY= 730.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3581 o DDC1565
[ DDC1565 ]
C1 ENERGY= 731.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3581 o DDC1564
[ DDC1566 ]
C1 ENERGY= 432.6 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3582 o DDC1567
[ DDC1567 ]
C1 ENERGY= 730.3 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3582 o DDC1566
[ DDC1568 ]
C1 ENERGY= 172.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3583 o DDC1569
[ DDC1569 ]
C1 ENERGY= 587.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3583 o DDC1568
[ DDC1570 ]
C1 ENERGY= 676.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3584 o DDC1571
[ DDC1571 ]
C1 ENERGY= 461.6 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3584 o DDC1570
[ DDC1572 ]
C1 ENERGY= 408.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3585 o DDC1573
[ DDC1573 ]
C1 ENERGY= 682.5 kJ/mol
FRAGMENTS:
HCO CO2 HO
CONNECTIONS:
o TS3585 o DDC1572
[ DDC1574 ]
C1 ENERGY= 738.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3586 o DDC1575
[ DDC1575 ]
C1 ENERGY= 738.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3586 o DDC1574
[ DDC1576 ]
C1 ENERGY= 738.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3587 o DDC1577
[ DDC1577 ]
C1 ENERGY= 697.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3587 o DDC1576
[ DDC1578 ]
C1 ENERGY= 736.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3588 o DDC1579
[ DDC1579 ]
C1 ENERGY= 695.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3588 o DDC1578
[ DDC1580 ]
C1 ENERGY= 734.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3589 o DDC1581
[ DDC1581 ]
C1 ENERGY= 739.1 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3589 o DDC1580
[ DDC1582 ]
C1 ENERGY= 738.7 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3590 o DDC1583
[ DDC1583 ]
C1 ENERGY= 434.1 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3590 o DDC1582
[ DDC1584 ]
C1 ENERGY= 641.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3591 o DDC1585
[ DDC1585 ]
C1 ENERGY= 659.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3591 o DDC1584
[ DDC1586 ]
C1 ENERGY= 731.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3592 o DDC1587
[ DDC1587 ]
C1 ENERGY= 304.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3592 o DDC1586
[ DDC1588 ]
C1 ENERGY= 626.8 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3593 o DDC1589
[ DDC1589 ]
C1 ENERGY= 671.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3593 o DDC1588
[ DDC1590 ]
C1 ENERGY= 742.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3594 o DDC1591
[ DDC1591 ]
C1 ENERGY= 741.7 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3594 o DDC1590
[ DDC1592 ]
C1 ENERGY= 712.8 kJ/mol
FRAGMENTS:
HCO HCO O2
CONNECTIONS:
o TS3595 o DDC1593
[ DDC1593 ]
C1 ENERGY= 737.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3595 o DDC1592
[ DDC1594 ]
C1 ENERGY= 320.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3596 o DDC1595
[ DDC1595 ]
C1 ENERGY= 729.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3596 o DDC1594
[ DDC1596 ]
C1 ENERGY= 615.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3597 o DDC1597
[ DDC1597 ]
C1 ENERGY= 658.0 kJ/mol
FRAGMENTS:
H2CO CO O2
CONNECTIONS:
o TS3597 o DDC1596
[ DDC1598 ]
C1 ENERGY= 741.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3598 o DDC1599
[ DDC1599 ]
C1 ENERGY= 154.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3598 o DDC1598
[ DDC1600 ]
C1 ENERGY= 443.5 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3599 o DDC1601
[ DDC1601 ]
C1 ENERGY= 129.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3599 o DDC1600
[ DDC1602 ]
C1 ENERGY= 328.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3600 o DDC1603
[ DDC1603 ]
C1 ENERGY= 730.7 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3600 o DDC1602
[ DDC1604 ]
C1 ENERGY= 692.9 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3601 o DDC1605
[ DDC1605 ]
C1 ENERGY= 629.1 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3601 o DDC1604
[ DDC1606 ]
C1 ENERGY= -29.3 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3602 o DDC1607
[ DDC1607 ]
C1 ENERGY= 726.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3602 o DDC1606
[ DDC1608 ]
C1 ENERGY= 607.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3603 o DDC1609
[ DDC1609 ]
C1 ENERGY= 611.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3603 o DDC1608
[ DDC1610 ]
C1 ENERGY= 661.4 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3604 o DDC1611
[ DDC1611 ]
C1 ENERGY= 475.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3604 o DDC1610
[ DDC1612 ]
C1 ENERGY= 555.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3605 o DDC1613
[ DDC1613 ]
C1 ENERGY= 543.5 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3605 o DDC1612
[ DDC1614 ]
C1 ENERGY= 622.7 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3606 o DDC1615
[ DDC1615 ]
C1 ENERGY= 430.0 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3606 o DDC1614
[ DDC1616 ]
C1 ENERGY= 749.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3607 o DDC1617
[ DDC1617 ]
C1 ENERGY= 752.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3607 o DDC1616
[ DDC1618 ]
C2 ENERGY= 572.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3608 o DDC1619
[ DDC1619 ]
C1 ENERGY= 506.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3608 o DDC1618
[ DDC1620 ]
C1 ENERGY= 519.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3609 o DDC1621
[ DDC1621 ]
C1 ENERGY= 555.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3609 o DDC1620
[ DDC1622 ]
C1 ENERGY= 517.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3610 o DDC1623
[ DDC1623 ]
C1 ENERGY= 546.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3610 o DDC1622
[ DDC1624 ]
C1 ENERGY= 612.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3611 o DDC1625
[ DDC1625 ]
C1 ENERGY= 654.0 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3611 o DDC1624
[ DDC1626 ]
C1 ENERGY= 633.7 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3612 o DDC1627
[ DDC1627 ]
C1 ENERGY= 713.1 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3612 o DDC1626
[ DDC1628 ]
C1 ENERGY= 81.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3613 o DDC1629
[ DDC1629 ]
C1 ENERGY= 536.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3613 o DDC1628
[ DDC1630 ]
C1 ENERGY= 739.4 kJ/mol
FRAGMENTS:
HCO HCO O2
CONNECTIONS:
o TS3614 o DDC1631
[ DDC1631 ]
C1 ENERGY= 765.5 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3614 o DDC1630
[ DDC1632 ]
C1 ENERGY= 717.6 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3615 o DDC1633
[ DDC1633 ]
C1 ENERGY= 635.2 kJ/mol
FRAGMENTS:
CO2 CO H2O
CONNECTIONS:
o TS3615 o DDC1632
[ DDC1634 ]
C1 ENERGY= 744.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3616 o DDC1635
[ DDC1635 ]
C1 ENERGY= 140.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3616 o DDC1634
[ DDC1636 ]
C1 ENERGY= 773.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3617 o DDC1637
[ DDC1637 ]
C1 ENERGY= 774.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3617 o DDC1636
[ DDC1638 ]
C1 ENERGY= 747.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3618 o DDC1639
[ DDC1639 ]
C1 ENERGY= 748.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3618 o DDC1638
[ DDC1640 ]
C1 ENERGY= 775.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3619 o DDC1641
[ DDC1641 ]
C1 ENERGY= 775.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3619 o DDC1640
[ DDC1642 ]
C1 ENERGY= 755.9 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3620 o DDC1643
[ DDC1643 ]
C1 ENERGY= 755.9 kJ/mol
FRAGMENTS:
HCO HCO O2
CONNECTIONS:
o TS3620 o DDC1642
[ DDC1644 ]
C1 ENERGY= 611.4 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3621 o DDC1645
[ DDC1645 ]
C1 ENERGY= 454.8 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3621 o DDC1644
[ DDC1646 ]
C1 ENERGY= 377.2 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3622 o DDC1647
[ DDC1647 ]
C1 ENERGY= 450.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3622 o DDC1646
[ DDC1648 ]
C1 ENERGY= 405.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3623 o DDC1649
[ DDC1649 ]
C1 ENERGY= 405.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3623 o DDC1648
[ DDC1650 ]
C1 ENERGY= 507.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3624 o DDC1651
[ DDC1651 ]
C1 ENERGY= 570.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3624 o DDC1650
[ DDC1652 ]
C1 ENERGY= 680.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3625 o DDC1653
[ DDC1653 ]
C1 ENERGY= 768.7 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3625 o DDC1652
[ DDC1654 ]
C1 ENERGY= 791.7 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3626 o DDC1655
[ DDC1655 ]
C1 ENERGY= 792.4 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3626 o DDC1654
[ DDC1656 ]
C1 ENERGY= 662.0 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3627 o DDC1657
[ DDC1657 ]
C1 ENERGY= 669.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3627 o DDC1656
[ DDC1658 ]
C1 ENERGY= -34.9 kJ/mol
FRAGMENTS:
CO2 CO2 H H
CONNECTIONS:
o TS3628 o DDC1659
[ DDC1659 ]
C1 ENERGY= 716.5 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3628 o DDC1658
[ DDC1660 ]
C1 ENERGY= 802.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3629 o DDC1661
[ DDC1661 ]
C1 ENERGY= 801.8 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3629 o DDC1660
[ DDC1662 ]
C1 ENERGY= 802.9 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3630 o DDC1663
[ DDC1663 ]
C1 ENERGY= 795.6 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3630 o DDC1662
[ DDC1664 ]
C1 ENERGY= 655.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3631 o DDC1665
[ DDC1665 ]
C1 ENERGY= 592.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3631 o DDC1664
[ DDC1666 ]
C1 ENERGY= 813.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3632 o DDC1667
[ DDC1667 ]
C1 ENERGY= 812.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3632 o DDC1666
[ DDC1668 ]
C1 ENERGY= 646.8 kJ/mol
FRAGMENTS:
CO2 CO2 H H
CONNECTIONS:
o TS3633 o DDC1669
[ DDC1669 ]
C1 ENERGY= 133.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3633 o DDC1668
[ DDC1670 ]
C1 ENERGY= 645.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3634 o DDC1671
[ DDC1671 ]
C1 ENERGY= 500.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3634 o DDC1670
[ DDC1672 ]
C1 ENERGY= 812.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3635 o DDC1673
[ DDC1673 ]
C1 ENERGY= 807.8 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3635 o DDC1672
[ DDC1674 ]
C1 ENERGY= 816.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3636 o DDC1675
[ DDC1675 ]
C1 ENERGY= 815.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3636 o DDC1674
[ DDC1676 ]
Cs ENERGY= 382.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3637 o DDC1677
[ DDC1677 ]
C1 ENERGY= 818.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3637 o DDC1676
[ DDC1678 ]
C1 ENERGY= 822.2 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3638 o DDC1679
[ DDC1679 ]
C1 ENERGY= 820.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3638 o DDC1678
[ DDC1680 ]
C1 ENERGY= 552.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3639 o DDC1681
[ DDC1681 ]
C1 ENERGY= 819.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3639 o DDC1680
[ DDC1682 ]
C1 ENERGY= 829.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3640 o DDC1683
[ DDC1683 ]
C1 ENERGY= 829.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3640 o DDC1682
[ DDC1684 ]
C1 ENERGY= 77.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3641 o DDC1685
[ DDC1685 ]
C1 ENERGY= 634.0 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3641 o DDC1684
[ DDC1686 ]
C1 ENERGY= 563.2 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3642 o DDC1687
[ DDC1687 ]
C1 ENERGY= 611.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3642 o DDC1686
[ DDC1688 ]
C1 ENERGY= 561.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3643 o DDC1689
[ DDC1689 ]
C1 ENERGY= 836.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3643 o DDC1688
[ DDC1690 ]
C1 ENERGY= 842.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3644 o DDC1691
[ DDC1691 ]
C1 ENERGY= 841.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3644 o DDC1690
[ DDC1692 ]
C1 ENERGY= 708.5 kJ/mol
FRAGMENTS:
CO HCO2 HO
CONNECTIONS:
o TS3645 o DDC1693
[ DDC1693 ]
C1 ENERGY= 826.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3645 o DDC1692
[ DDC1694 ]
C1 ENERGY= 799.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3646 o DDC1695
[ DDC1695 ]
C1 ENERGY= 801.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3646 o DDC1694
[ DDC1696 ]
C1 ENERGY= 796.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3647 o DDC1697
[ DDC1697 ]
C1 ENERGY= 796.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3647 o DDC1696
[ DDC1698 ]
C1 ENERGY= 802.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3648 o DDC1699
[ DDC1699 ]
C1 ENERGY= 799.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3648 o DDC1698
[ DDC1700 ]
C1 ENERGY= 850.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3649 o DDC1701
[ DDC1701 ]
C1 ENERGY= 851.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3649 o DDC1700
[ DDC1702 ]
C1 ENERGY= 851.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3650 o DDC1703
[ DDC1703 ]
C1 ENERGY= 851.1 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3650 o DDC1702
[ DDC1704 ]
C1 ENERGY= 814.6 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3651 o DDC1705
[ DDC1705 ]
C1 ENERGY= 719.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3651 o DDC1704
[ DDC1706 ]
C1 ENERGY= 828.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3652 o DDC1707
[ DDC1707 ]
C1 ENERGY= 828.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3652 o DDC1706
[ DDC1708 ]
C1 ENERGY= 548.6 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3653 o DDC1709
[ DDC1709 ]
C1 ENERGY= 635.9 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3653 o DDC1708
[ DDC1710 ]
C1 ENERGY= 538.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3654 o DDC1711
[ DDC1711 ]
C1 ENERGY= 628.1 kJ/mol
FRAGMENTS:
CO CO2 H2O
CONNECTIONS:
o TS3654 o DDC1710
[ DDC1712 ]
C1 ENERGY= 863.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3655 o DDC1713
[ DDC1713 ]
C1 ENERGY= 860.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3655 o DDC1712
[ DDC1714 ]
C1 ENERGY= 863.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3656 o DDC1715
[ DDC1715 ]
C1 ENERGY= 864.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3656 o DDC1714
[ DDC1716 ]
C1 ENERGY= 468.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3657 o DDC1717
[ DDC1717 ]
C1 ENERGY= 466.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3657 o DDC1716
[ DDC1718 ]
C1 ENERGY= 864.3 kJ/mol
FRAGMENTS:
H2CO CO O2
CONNECTIONS:
o TS3658 o DDC1719
[ DDC1719 ]
C1 ENERGY= 864.0 kJ/mol
FRAGMENTS:
H2CO CO O2
CONNECTIONS:
o TS3658 o DDC1718
[ DDC1720 ]
C1 ENERGY= 797.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3659 o DDC1721
[ DDC1721 ]
C1 ENERGY= 799.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3659 o DDC1720
[ DDC1722 ]
C1 ENERGY= 698.3 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3660 o DDC1723
[ DDC1723 ]
C1 ENERGY= 669.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3660 o DDC1722
[ DDC1724 ]
C1 ENERGY= 767.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3661 o DDC1725
[ DDC1725 ]
C1 ENERGY= 815.6 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3661 o DDC1724
[ DDC1726 ]
Cs ENERGY= 836.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3662 o DDC1727
[ DDC1727 ]
C1 ENERGY= 736.3 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3662 o DDC1726
[ DDC1728 ]
C1 ENERGY= 865.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3663 o DDC1729
[ DDC1729 ]
C1 ENERGY= 862.4 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3663 o DDC1728
[ DDC1730 ]
C1 ENERGY= 864.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3664 o DDC1731
[ DDC1731 ]
C1 ENERGY= 831.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3664 o DDC1730
[ DDC1732 ]
C1 ENERGY= 873.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3665 o DDC1733
[ DDC1733 ]
C1 ENERGY= 873.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3665 o DDC1732
[ DDC1734 ]
C1 ENERGY= 483.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3666 o DDC1735
[ DDC1735 ]
C1 ENERGY= 838.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3666 o DDC1734
[ DDC1736 ]
C1 ENERGY= 823.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3667 o DDC1737
[ DDC1737 ]
C1 ENERGY= 823.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3667 o DDC1736
[ DDC1738 ]
C1 ENERGY= 393.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3668 o DDC1739
[ DDC1739 ]
C1 ENERGY= 886.5 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3668 o DDC1738
[ DDC1740 ]
C1 ENERGY= 857.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3669 o DDC1741
[ DDC1741 ]
C1 ENERGY= 801.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3669 o DDC1740
[ DDC1742 ]
Cs ENERGY= 756.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3670 o DDC1743
[ DDC1743 ]
C1 ENERGY= 759.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3670 o DDC1742
[ DDC1744 ]
C1 ENERGY= 742.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3671 o DDC1745
[ DDC1745 ]
C1 ENERGY= 738.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3671 o DDC1744
[ DDC1746 ]
C1 ENERGY= 896.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3672 o DDC1747
[ DDC1747 ]
C1 ENERGY= 896.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3672 o DDC1746
[ DDC1748 ]
C1 ENERGY= 431.9 kJ/mol
FRAGMENTS:
CO CO H2O2
CONNECTIONS:
o TS3673 o DDC1749
[ DDC1749 ]
C1 ENERGY= 883.5 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3673 o DDC1748
[ DDC1750 ]
C1 ENERGY= 896.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3674 o DDC1751
[ DDC1751 ]
C1 ENERGY= 892.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3674 o DDC1750
[ DDC1752 ]
C1 ENERGY= 386.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3675 o DDC1753
[ DDC1753 ]
C1 ENERGY= 878.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3675 o DDC1752
[ DDC1754 ]
C1 ENERGY= 785.8 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3676 o DDC1755
[ DDC1755 ]
C1 ENERGY= 761.7 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3676 o DDC1754
[ DDC1756 ]
C1 ENERGY= 849.1 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3677 o DDC1757
[ DDC1757 ]
C1 ENERGY= 888.5 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3677 o DDC1756
[ DDC1758 ]
C1 ENERGY= 896.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3678 o DDC1759
[ DDC1759 ]
C1 ENERGY= 789.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3678 o DDC1758
[ DDC1760 ]
C1 ENERGY= 781.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3679 o DDC1761
[ DDC1761 ]
C1 ENERGY= 881.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3679 o DDC1760
[ DDC1762 ]
C1 ENERGY= 890.0 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3680 o DDC1763
[ DDC1763 ]
C1 ENERGY= 908.1 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3680 o DDC1762
[ DDC1764 ]
C1 ENERGY= 483.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3681 o DDC1765
[ DDC1765 ]
C1 ENERGY= 490.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3681 o DDC1764
[ DDC1766 ]
C1 ENERGY= 742.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3682 o DDC1767
[ DDC1767 ]
C1 ENERGY= 155.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3682 o DDC1766
[ DDC1768 ]
C1 ENERGY= 417.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3683 o DDC1769
[ DDC1769 ]
C1 ENERGY= 416.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3683 o DDC1768
[ DDC1770 ]
C1 ENERGY= 740.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3684 o DDC1771
[ DDC1771 ]
C1 ENERGY= 151.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3684 o DDC1770
[ DDC1772 ]
C1 ENERGY= 764.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3685 o DDC1773
[ DDC1773 ]
C1 ENERGY= 889.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3685 o DDC1772
[ DDC1774 ]
C1 ENERGY= 921.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3686 o DDC1775
[ DDC1775 ]
C1 ENERGY= 921.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3686 o DDC1774
[ DDC1776 ]
C1 ENERGY= 563.6 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3687 o DDC1777
[ DDC1777 ]
C1 ENERGY= 813.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3687 o DDC1776
[ DDC1778 ]
C1 ENERGY= 746.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3688 o DDC1779
[ DDC1779 ]
C1 ENERGY= 483.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3688 o DDC1778
[ DDC1780 ]
C1 ENERGY= 478.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3689 o DDC1781
[ DDC1781 ]
C1 ENERGY= 572.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3689 o DDC1780
[ DDC1782 ]
C1 ENERGY= 151.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3690 o DDC1783
[ DDC1783 ]
C1 ENERGY= 160.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3690 o DDC1782
[ DDC1784 ]
C1 ENERGY= 734.1 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3691 o DDC1785
[ DDC1785 ]
C1 ENERGY= 268.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3691 o DDC1784
[ DDC1786 ]
C1 ENERGY= 806.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3692 o DDC1787
[ DDC1787 ]
C1 ENERGY= 489.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3692 o DDC1786
[ DDC1788 ]
C1 ENERGY= 875.2 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3693 o DDC1789
[ DDC1789 ]
C1 ENERGY= 703.0 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3693 o DDC1788
[ DDC1790 ]
C1 ENERGY= 867.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3694 o DDC1791
[ DDC1791 ]
C1 ENERGY= 857.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3694 o DDC1790
[ DDC1792 ]
C1 ENERGY= 470.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3695 o DDC1793
[ DDC1793 ]
C1 ENERGY= 111.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3695 o DDC1792
[ DDC1794 ]
C1 ENERGY= 939.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3696 o DDC1795
[ DDC1795 ]
C1 ENERGY= 939.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3696 o DDC1794
[ DDC1796 ]
C1 ENERGY= 324.0 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3697 o DDC1797
[ DDC1797 ]
C1 ENERGY= 912.1 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3697 o DDC1796
[ DDC1798 ]
C1 ENERGY= 795.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3698 o DDC1799
[ DDC1799 ]
C1 ENERGY= 149.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3698 o DDC1798
[ DDC1800 ]
C1 ENERGY= 952.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3699 o DDC1801
[ DDC1801 ]
C1 ENERGY= 952.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3699 o DDC1800
[ DDC1802 ]
C1 ENERGY= 948.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3700 o DDC1803
[ DDC1803 ]
C1 ENERGY= 947.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3700 o DDC1802
[ DDC1804 ]
C1 ENERGY= 942.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3701 o DDC1805
[ DDC1805 ]
C1 ENERGY= 892.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3701 o DDC1804
[ DDC1806 ]
C1 ENERGY= 589.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3702 o DDC1807
[ DDC1807 ]
C1 ENERGY= 603.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3702 o DDC1806
[ DDC1808 ]
C1 ENERGY= 483.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3703 o DDC1809
[ DDC1809 ]
C1 ENERGY= 953.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3703 o DDC1808
[ DDC1810 ]
C1 ENERGY= 893.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3704 o DDC1811
[ DDC1811 ]
C1 ENERGY= 952.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3704 o DDC1810
[ DDC1812 ]
C1 ENERGY= 158.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3705 o DDC1813
[ DDC1813 ]
C1 ENERGY= 954.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3705 o DDC1812
[ DDC1814 ]
C1 ENERGY= 678.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3706 o DDC1815
[ DDC1815 ]
C1 ENERGY= 681.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3706 o DDC1814
[ DDC1816 ]
C1 ENERGY= 977.5 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3707 o DDC1817
[ DDC1817 ]
C1 ENERGY= 979.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3707 o DDC1816
[ DDC1818 ]
C1 ENERGY= 974.3 kJ/mol
FRAGMENTS:
H2CO CO3
CONNECTIONS:
o TS3708 o DDC1819
[ DDC1819 ]
C1 ENERGY= 978.1 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o TS3708 o DDC1818
[ DDC1820 ]
C1 ENERGY= 981.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3709 o DDC1821
[ DDC1821 ]
C1 ENERGY= 982.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3709 o DDC1820
[ DDC1822 ]
C1 ENERGY= 983.9 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3710 o DDC1823
[ DDC1823 ]
C1 ENERGY= 983.3 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3710 o DDC1822
[ DDC1824 ]
C1 ENERGY= 948.5 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3711 o DDC1825
[ DDC1825 ]
C1 ENERGY= 963.4 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3711 o DDC1824
[ DDC1826 ]
C1 ENERGY= 984.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3712 o DDC1827
[ DDC1827 ]
C1 ENERGY= 962.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3712 o DDC1826
[ DDC1828 ]
C1 ENERGY= 760.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3713 o DDC1829
[ DDC1829 ]
C1 ENERGY= 701.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3713 o DDC1828
[ DDC1830 ]
C1 ENERGY= 672.1 kJ/mol
FRAGMENTS:
CO H2CO O2
CONNECTIONS:
o TS3714 o DDC1831
[ DDC1831 ]
C1 ENERGY= 938.0 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3714 o DDC1830
[ DDC1832 ]
C1 ENERGY= 986.3 kJ/mol
FRAGMENTS:
CO2 HCO2 H
CONNECTIONS:
o TS3715 o DDC1833
[ DDC1833 ]
C1 ENERGY= 863.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3715 o DDC1832
[ DDC1834 ]
C1 ENERGY= 732.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3716 o DDC1835
[ DDC1835 ]
C1 ENERGY= 762.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3716 o DDC1834
[ DDC1836 ]
C1 ENERGY= 889.8 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3717 o DDC1837
[ DDC1837 ]
C1 ENERGY= 800.6 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3717 o DDC1836
[ DDC1838 ]
C1 ENERGY= 717.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3718 o DDC1839
[ DDC1839 ]
C1 ENERGY= 492.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3718 o DDC1838
[ DDC1840 ]
C1 ENERGY= 851.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3719 o DDC1841
[ DDC1841 ]
C1 ENERGY= 739.7 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3719 o DDC1840
[ DDC1842 ]
C1 ENERGY= 650.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3720 o DDC1843
[ DDC1843 ]
Cs ENERGY= 962.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3720 o DDC1842
[ DDC1844 ]
C1 ENERGY= 716.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3721 o DDC1845
[ DDC1845 ]
C1 ENERGY= 491.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3721 o DDC1844
[ DDC1846 ]
C1 ENERGY= 976.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3722 o DDC1847
[ DDC1847 ]
C1 ENERGY= 965.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3722 o DDC1846
[ DDC1848 ]
C1 ENERGY= 777.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3723 o DDC1849
[ DDC1849 ]
C1 ENERGY= 726.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3723 o DDC1848
[ DDC1850 ]
C1 ENERGY= 941.7 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3724 o DDC1851
[ DDC1851 ]
C1 ENERGY= 996.7 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3724 o DDC1850
[ DDC1852 ]
C1 ENERGY= 968.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3725 o DDC1853
[ DDC1853 ]
C1 ENERGY= 661.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3725 o DDC1852
[ DDC1854 ]
C1 ENERGY= 992.1 kJ/mol
FRAGMENTS:
CO4 H2C
CONNECTIONS:
o TS3726 o DDC1855
[ DDC1855 ]
C1 ENERGY= 1002.3 kJ/mol
FRAGMENTS:
CO4 H2C
CONNECTIONS:
o TS3726 o DDC1854
[ DDC1856 ]
C1 ENERGY= 1004.9 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3727 o DDC1857
[ DDC1857 ]
C1 ENERGY= 1001.4 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3727 o DDC1856
[ DDC1858 ]
C1 ENERGY= 1012.6 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3728 o DDC1859
[ DDC1859 ]
C1 ENERGY= 967.2 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3728 o DDC1858
[ DDC1860 ]
C1 ENERGY= 1014.5 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3729 o DDC1861
[ DDC1861 ]
C1 ENERGY= 1001.2 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3729 o DDC1860
[ DDC1862 ]
C1 ENERGY= 967.5 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3730 o DDC1863
[ DDC1863 ]
C1 ENERGY= 1017.7 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3730 o DDC1862
[ DDC1864 ]
C1 ENERGY= 1005.3 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3731 o DDC1865
[ DDC1865 ]
C1 ENERGY= 1016.1 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3731 o DDC1864
[ DDC1866 ]
C1 ENERGY= 1001.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3732 o DDC1867
[ DDC1867 ]
C1 ENERGY= 1002.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3732 o DDC1866
[ DDC1868 ]
C1 ENERGY= 1020.2 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3733 o DDC1869
[ DDC1869 ]
C1 ENERGY= 1021.0 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3733 o DDC1868
[ DDC1870 ]
C1 ENERGY= 1008.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3734 o DDC1871
[ DDC1871 ]
C1 ENERGY= 1006.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3734 o DDC1870
[ DDC1872 ]
C1 ENERGY= 1020.9 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3735 o DDC1873
[ DDC1873 ]
C1 ENERGY= 1020.3 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3735 o DDC1872
[ DDC1874 ]
C1 ENERGY= 1013.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3736 o DDC1875
[ DDC1875 ]
C1 ENERGY= 1009.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3736 o DDC1874
[ DDC1876 ]
C1 ENERGY= 949.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3737 o DDC1877
[ DDC1877 ]
C1 ENERGY= 958.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3737 o DDC1876
[ DDC1878 ]
C1 ENERGY= 963.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3738 o DDC1879
[ DDC1879 ]
C1 ENERGY= 949.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3738 o DDC1878
[ DDC1880 ]
C1 ENERGY= 957.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3739 o DDC1881
[ DDC1881 ]
C1 ENERGY= 949.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3739 o DDC1880
[ DDC1882 ]
C1 ENERGY= 976.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3740 o DDC1883
[ DDC1883 ]
C1 ENERGY= 941.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3740 o DDC1882
[ DDC1884 ]
C1 ENERGY= 322.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3741 o DDC1885
[ DDC1885 ]
C1 ENERGY= 722.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3741 o DDC1884
[ DDC1886 ]
C1 ENERGY= 1027.2 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3742 o DDC1887
[ DDC1887 ]
C1 ENERGY= 1012.4 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3742 o DDC1886
[ DDC1888 ]
C1 ENERGY= 1016.4 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3743 o DDC1889
[ DDC1889 ]
C1 ENERGY= 1026.8 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3743 o DDC1888
[ DDC1890 ]
C1 ENERGY= 1008.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3744 o DDC1891
[ DDC1891 ]
C1 ENERGY= 1017.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3744 o DDC1890
[ DDC1892 ]
C1 ENERGY= 967.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3745 o DDC1893
[ DDC1893 ]
C1 ENERGY= 919.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3745 o DDC1892
[ DDC1894 ]
C1 ENERGY= 792.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3746 o DDC1895
[ DDC1895 ]
C1 ENERGY= 976.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3746 o DDC1894
[ DDC1896 ]
C1 ENERGY= 1023.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3747 o DDC1897
[ DDC1897 ]
C1 ENERGY= 1042.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3747 o DDC1896
[ DDC1898 ]
C1 ENERGY= 943.2 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3748 o DDC1899
[ DDC1899 ]
C1 ENERGY= 842.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3748 o DDC1898
[ DDC1900 ]
C1 ENERGY= 589.3 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3749 o DDC1901
[ DDC1901 ]
C1 ENERGY= 962.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3749 o DDC1900
[ DDC1902 ]
C1 ENERGY= 784.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3750 o DDC1903
[ DDC1903 ]
C1 ENERGY= 952.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3750 o DDC1902
[ DDC1904 ]
C1 ENERGY= 681.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3751 o DDC1905
[ DDC1905 ]
C1 ENERGY= 952.0 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3751 o DDC1904
[ DDC1906 ]
C1 ENERGY= 1040.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3752 o DDC1907
[ DDC1907 ]
C1 ENERGY= 1049.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3752 o DDC1906
[ DDC1908 ]
C1 ENERGY= 1048.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3753 o DDC1909
[ DDC1909 ]
C1 ENERGY= 1048.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3753 o DDC1908
[ DDC1910 ]
C1 ENERGY= 796.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3754 o DDC1911
[ DDC1911 ]
C1 ENERGY= 968.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3754 o DDC1910
[ DDC1912 ]
C1 ENERGY= 1049.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3755 o DDC1913
[ DDC1913 ]
C1 ENERGY= 889.4 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3755 o DDC1912
[ DDC1914 ]
C1 ENERGY= 658.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3756 o DDC1915
[ DDC1915 ]
C1 ENERGY= 842.8 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3756 o DDC1914
[ DDC1916 ]
C1 ENERGY= 917.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3757 o DDC1917
[ DDC1917 ]
C1 ENERGY= 476.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3757 o DDC1916
[ DDC1918 ]
C1 ENERGY= 758.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3758 o DDC1919
[ DDC1919 ]
C1 ENERGY= 738.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3758 o DDC1918
[ DDC1920 ]
C1 ENERGY= 1059.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3759 o DDC1921
[ DDC1921 ]
C1 ENERGY= 1058.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3759 o DDC1920
[ DDC1922 ]
C1 ENERGY= 1061.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3760 o DDC1923
[ DDC1923 ]
C1 ENERGY= 1061.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3760 o DDC1922
[ DDC1924 ]
C1 ENERGY= 1061.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3761 o DDC1925
[ DDC1925 ]
C1 ENERGY= 1061.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3761 o DDC1924
[ DDC1926 ]
Cs ENERGY= 574.1 kJ/mol
FRAGMENTS:
C2O4 H H
CONNECTIONS:
o TS3762 o DDC1927
[ DDC1927 ]
Cs ENERGY= 788.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3762 o DDC1926
[ DDC1928 ]
C1 ENERGY= 1062.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3763 o DDC1929
[ DDC1929 ]
C1 ENERGY= 1062.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3763 o DDC1928
[ DDC1930 ]
C1 ENERGY= 818.8 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3764 o DDC1931
[ DDC1931 ]
C1 ENERGY= 972.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3764 o DDC1930
[ DDC1932 ]
C1 ENERGY= 922.3 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3765 o DDC1933
[ DDC1933 ]
C1 ENERGY= 562.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3765 o DDC1932
[ DDC1934 ]
C1 ENERGY= 1064.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3766 o DDC1935
[ DDC1935 ]
C1 ENERGY= 1064.8 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3766 o DDC1934
[ DDC1936 ]
C1 ENERGY= 750.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3767 o DDC1937
[ DDC1937 ]
C1 ENERGY= 835.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3767 o DDC1936
[ DDC1938 ]
C1 ENERGY= 1069.0 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3768 o DDC1939
[ DDC1939 ]
C1 ENERGY= 1068.9 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3768 o DDC1938
[ DDC1940 ]
C1 ENERGY= 999.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3769 o DDC1941
[ DDC1941 ]
C1 ENERGY= 751.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3769 o DDC1940
[ DDC1942 ]
C1 ENERGY= 1064.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3770 o DDC1943
[ DDC1943 ]
C1 ENERGY= 1055.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3770 o DDC1942
[ DDC1944 ]
C1 ENERGY= 1058.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3771 o DDC1945
[ DDC1945 ]
C1 ENERGY= 1055.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3771 o DDC1944
[ DDC1946 ]
C1 ENERGY= 944.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3772 o DDC1947
[ DDC1947 ]
C1 ENERGY= 1057.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3772 o DDC1946
[ DDC1948 ]
C1 ENERGY= 574.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3773 o DDC1949
[ DDC1949 ]
C1 ENERGY= 965.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3773 o DDC1948
[ DDC1950 ]
C1 ENERGY= 772.8 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3774 o DDC1951
[ DDC1951 ]
C1 ENERGY= 788.0 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3774 o DDC1950
[ DDC1952 ]
C1 ENERGY= 916.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3775 o DDC1953
[ DDC1953 ]
C1 ENERGY= 918.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3775 o DDC1952
[ DDC1954 ]
C1 ENERGY= 1078.8 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3776 o DDC1955
[ DDC1955 ]
C1 ENERGY= 1079.4 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3776 o DDC1954
[ DDC1956 ]
C1 ENERGY= 879.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3777 o DDC1957
[ DDC1957 ]
C1 ENERGY= 1005.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3777 o DDC1956
[ DDC1958 ]
C1 ENERGY= 831.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3778 o DDC1959
[ DDC1959 ]
C1 ENERGY= 788.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3778 o DDC1958
[ DDC1960 ]
C1 ENERGY= 747.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3779 o DDC1961
[ DDC1961 ]
C1 ENERGY= 983.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3779 o DDC1960
[ DDC1962 ]
C1 ENERGY= 777.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3780 o DDC1963
[ DDC1963 ]
C1 ENERGY= 765.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3780 o DDC1962
[ DDC1964 ]
C1 ENERGY= 967.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3781 o DDC1965
[ DDC1965 ]
C1 ENERGY= 1059.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3781 o DDC1964
[ DDC1966 ]
C1 ENERGY= 1060.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3782 o DDC1967
[ DDC1967 ]
C1 ENERGY= 1043.4 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3782 o DDC1966
[ DDC1968 ]
C1 ENERGY= 1061.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3783 o DDC1969
[ DDC1969 ]
C1 ENERGY= 1040.1 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3783 o DDC1968
[ DDC1970 ]
C1 ENERGY= 1060.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3784 o DDC1971
[ DDC1971 ]
C1 ENERGY= 985.7 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3784 o DDC1970
[ DDC1972 ]
C1 ENERGY= 774.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3785 o DDC1973
[ DDC1973 ]
C1 ENERGY= 630.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3785 o DDC1972
[ DDC1974 ]
C1 ENERGY= 481.9 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3786 o DDC1975
[ DDC1975 ]
C1 ENERGY= 1085.9 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3786 o DDC1974
[ DDC1976 ]
C1 ENERGY= 1058.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3787 o DDC1977
[ DDC1977 ]
C1 ENERGY= 955.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3787 o DDC1976
[ DDC1978 ]
C1 ENERGY= 778.9 kJ/mol
FRAGMENTS:
HCO CO HO2
CONNECTIONS:
o TS3788 o DDC1979
[ DDC1979 ]
C1 ENERGY= 852.7 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3788 o DDC1978
[ DDC1980 ]
C1 ENERGY= 988.8 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3789 o DDC1981
[ DDC1981 ]
C1 ENERGY= 1062.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3789 o DDC1980
[ DDC1982 ]
C1 ENERGY= 790.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3790 o DDC1983
[ DDC1983 ]
C1 ENERGY= 768.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3790 o DDC1982
[ DDC1984 ]
C1 ENERGY= 674.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3791 o DDC1985
[ DDC1985 ]
C1 ENERGY= 835.4 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3791 o DDC1984
[ DDC1986 ]
C1 ENERGY= 919.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3792 o DDC1987
[ DDC1987 ]
C1 ENERGY= 1049.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3792 o DDC1986
[ DDC1988 ]
C1 ENERGY= 882.5 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3793 o DDC1989
[ DDC1989 ]
C1 ENERGY= 1094.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3793 o DDC1988
[ DDC1990 ]
C1 ENERGY= 1113.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3794 o DDC1991
[ DDC1991 ]
C1 ENERGY= 1113.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3794 o DDC1990
[ DDC1992 ]
C1 ENERGY= 1110.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3795 o DDC1993
[ DDC1993 ]
C1 ENERGY= 1112.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3795 o DDC1992
[ DDC1994 ]
C1 ENERGY= 917.7 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3796 o DDC1995
[ DDC1995 ]
C1 ENERGY= 1112.6 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o TS3796 o DDC1994
[ DDC1996 ]
C1 ENERGY= 795.9 kJ/mol
FRAGMENTS:
CO H2CO3
CONNECTIONS:
o TS3797 o DDC1997
[ DDC1997 ]
C1 ENERGY= 481.2 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3797 o DDC1996
[ DDC1998 ]
C1 ENERGY= 749.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3798 o DDC1999
[ DDC1999 ]
C1 ENERGY= 961.0 kJ/mol
FRAGMENTS:
C2O3 H2O
CONNECTIONS:
o TS3798 o DDC1998
[ DDC2000 ]
C1 ENERGY= 1110.0 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3799 o DDC2001
[ DDC2001 ]
C1 ENERGY= 912.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3799 o DDC2000
[ DDC2002 ]
C1 ENERGY= 1144.8 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3800 o DDC2003
[ DDC2003 ]
C1 ENERGY= 1145.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3800 o DDC2002
[ DDC2004 ]
C1 ENERGY= 1142.8 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3801 o DDC2005
[ DDC2005 ]
C1 ENERGY= 1148.2 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3801 o DDC2004
[ DDC2006 ]
C1 ENERGY= 1091.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3802 o DDC2007
[ DDC2007 ]
C1 ENERGY= 1018.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3802 o DDC2006
[ DDC2008 ]
C1 ENERGY= 1157.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3803 o DDC2009
[ DDC2009 ]
C1 ENERGY= 1157.5 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3803 o DDC2008
[ DDC2010 ]
C1 ENERGY= 957.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3804 o DDC2011
[ DDC2011 ]
C1 ENERGY= 1128.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3804 o DDC2010
[ DDC2012 ]
C1 ENERGY= 1154.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3805 o DDC2013
[ DDC2013 ]
C1 ENERGY= 1152.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3805 o DDC2012
[ DDC2014 ]
C1 ENERGY= 1148.4 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3806 o DDC2015
[ DDC2015 ]
C1 ENERGY= 1163.0 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3806 o DDC2014
[ DDC2016 ]
C1 ENERGY= 1161.8 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3807 o DDC2017
[ DDC2017 ]
C1 ENERGY= 1162.3 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3807 o DDC2016
[ DDC2018 ]
C1 ENERGY= 1161.3 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3808 o DDC2019
[ DDC2019 ]
C1 ENERGY= 1161.2 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3808 o DDC2018
[ DDC2020 ]
C1 ENERGY= 1132.4 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3809 o DDC2021
[ DDC2021 ]
C1 ENERGY= 1136.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3809 o DDC2020
[ DDC2022 ]
C1 ENERGY= 699.6 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3810 o DDC2023
[ DDC2023 ]
C1 ENERGY= 1018.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3810 o DDC2022
[ DDC2024 ]
C1 ENERGY= 1155.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3811 o DDC2025
[ DDC2025 ]
C1 ENERGY= 1157.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3811 o DDC2024
[ DDC2026 ]
C1 ENERGY= 878.9 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3812 o DDC2027
[ DDC2027 ]
C1 ENERGY= 1147.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3812 o DDC2026
[ DDC2028 ]
C1 ENERGY= 1167.8 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3813 o DDC2029
[ DDC2029 ]
C1 ENERGY= 1168.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3813 o DDC2028
[ DDC2030 ]
C1 ENERGY= 1168.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3814 o DDC2031
[ DDC2031 ]
C1 ENERGY= 1168.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3814 o DDC2030
[ DDC2032 ]
C1 ENERGY= 1160.3 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3815 o DDC2033
[ DDC2033 ]
C1 ENERGY= 1001.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3815 o DDC2032
[ DDC2034 ]
C1 ENERGY= 1008.3 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3816 o DDC2035
[ DDC2035 ]
C1 ENERGY= 1103.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3816 o DDC2034
[ DDC2036 ]
C1 ENERGY= 1152.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3817 o DDC2037
[ DDC2037 ]
C1 ENERGY= 1161.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3817 o DDC2036
[ DDC2038 ]
C1 ENERGY= 1152.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3818 o DDC2039
[ DDC2039 ]
C1 ENERGY= 1162.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3818 o DDC2038
[ DDC2040 ]
C1 ENERGY= 1173.7 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3819 o DDC2041
[ DDC2041 ]
C1 ENERGY= 1173.6 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3819 o DDC2040
[ DDC2042 ]
C1 ENERGY= 1149.1 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3820 o DDC2043
[ DDC2043 ]
C1 ENERGY= 1161.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3820 o DDC2042
[ DDC2044 ]
C1 ENERGY= 905.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3821 o DDC2045
[ DDC2045 ]
C1 ENERGY= 479.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3821 o DDC2044
[ DDC2046 ]
C1 ENERGY= 1178.9 kJ/mol
FRAGMENTS:
C2O H2O O2
CONNECTIONS:
o TS3822 o DDC2047
[ DDC2047 ]
C1 ENERGY= 1178.3 kJ/mol
FRAGMENTS:
C2O H2O O2
CONNECTIONS:
o TS3822 o DDC2046
[ DDC2048 ]
C1 ENERGY= 1168.3 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3823 o DDC2049
[ DDC2049 ]
C1 ENERGY= 1174.4 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3823 o DDC2048
[ DDC2050 ]
C1 ENERGY= 1169.0 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3824 o DDC2051
[ DDC2051 ]
C1 ENERGY= 1153.9 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3824 o DDC2050
[ DDC2052 ]
C1 ENERGY= 676.0 kJ/mol
FRAGMENTS:
H2CO CO O2
CONNECTIONS:
o TS3825 o DDC2053
[ DDC2053 ]
C1 ENERGY= 1081.7 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3825 o DDC2052
[ DDC2054 ]
C1 ENERGY= 1166.1 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3826 o DDC2055
[ DDC2055 ]
C1 ENERGY= 930.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3826 o DDC2054
[ DDC2056 ]
C1 ENERGY= 1056.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3827 o DDC2057
[ DDC2057 ]
C1 ENERGY= 973.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3827 o DDC2056
[ DDC2058 ]
C1 ENERGY= 954.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o TS3828 o DDC2059
[ DDC2059 ]
C1 ENERGY= 953.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o TS3828 o DDC2058
[ DDC2060 ]
C1 ENERGY= 1164.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3829 o DDC2061
[ DDC2061 ]
C1 ENERGY= 970.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3829 o DDC2060
[ DDC2062 ]
C1 ENERGY= 948.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3830 o DDC2063
[ DDC2063 ]
C1 ENERGY= 871.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3830 o DDC2062
[ DDC2064 ]
C1 ENERGY= 973.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3831 o DDC2065
[ DDC2065 ]
C1 ENERGY= 1167.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3831 o DDC2064
[ DDC2066 ]
C1 ENERGY= 929.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3832 o DDC2067
[ DDC2067 ]
C1 ENERGY= 961.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3832 o DDC2066
[ DDC2068 ]
C1 ENERGY= 1198.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3833 o DDC2069
[ DDC2069 ]
C1 ENERGY= 1200.9 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3833 o DDC2068
[ DDC2070 ]
C1 ENERGY= 991.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3834 o DDC2071
[ DDC2071 ]
C1 ENERGY= 1091.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3834 o DDC2070
[ DDC2072 ]
C1 ENERGY= 895.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3835 o DDC2073
[ DDC2073 ]
C1 ENERGY= 1179.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3835 o DDC2072
[ DDC2074 ]
C1 ENERGY= 1166.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3836 o DDC2075
[ DDC2075 ]
C1 ENERGY= 932.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3836 o DDC2074
[ DDC2076 ]
C1 ENERGY= 1068.8 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3837 o DDC2077
[ DDC2077 ]
C1 ENERGY= 1073.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3837 o DDC2076
[ DDC2078 ]
C1 ENERGY= 967.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3838 o DDC2079
[ DDC2079 ]
C1 ENERGY= 747.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3838 o DDC2078
[ DDC2080 ]
C1 ENERGY= 758.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3839 o DDC2081
[ DDC2081 ]
C1 ENERGY= 815.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3839 o DDC2080
[ DDC2082 ]
C1 ENERGY= 1217.3 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3840 o DDC2083
[ DDC2083 ]
C1 ENERGY= 1209.2 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3840 o DDC2082
[ DDC2084 ]
C1 ENERGY= 905.2 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3841 o DDC2085
[ DDC2085 ]
C1 ENERGY= 1143.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3841 o DDC2084
[ DDC2086 ]
C1 ENERGY= 1167.5 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3842 o DDC2087
[ DDC2087 ]
C1 ENERGY= 1163.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3842 o DDC2086
[ DDC2088 ]
C1 ENERGY= 1219.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3843 o DDC2089
[ DDC2089 ]
C1 ENERGY= 1219.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3843 o DDC2088
[ DDC2090 ]
C1 ENERGY= 1157.3 kJ/mol
FRAGMENTS:
CO2 CO2 H H
CONNECTIONS:
o TS3844 o DDC2091
[ DDC2091 ]
Cs ENERGY= 1174.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o TS3844 o DDC2090
[ DDC2092 ]
C1 ENERGY= 1228.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3845 o DDC2093
[ DDC2093 ]
C1 ENERGY= 1234.9 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3845 o DDC2092
[ DDC2094 ]
C1 ENERGY= 1204.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3846 o DDC2095
[ DDC2095 ]
C1 ENERGY= 1183.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3846 o DDC2094
[ DDC2096 ]
C1 ENERGY= 1244.2 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3847 o DDC2097
[ DDC2097 ]
C1 ENERGY= 1206.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3847 o DDC2096
[ DDC2098 ]
C1 ENERGY= 1234.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3848 o DDC2099
[ DDC2099 ]
C1 ENERGY= 1250.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3848 o DDC2098
[ DDC2100 ]
C1 ENERGY= 1253.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3849 o DDC2101
[ DDC2101 ]
C1 ENERGY= 1255.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3849 o DDC2100
[ DDC2102 ]
C1 ENERGY= 1244.4 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3850 o DDC2103
[ DDC2103 ]
C1 ENERGY= 1258.4 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3850 o DDC2102
[ DDC2104 ]
C1 ENERGY= 1251.0 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3851 o DDC2105
[ DDC2105 ]
C1 ENERGY= 1008.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3851 o DDC2104
[ DDC2106 ]
C1 ENERGY= 1251.2 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3852 o DDC2107
[ DDC2107 ]
C1 ENERGY= 1259.6 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3852 o DDC2106
[ DDC2108 ]
C1 ENERGY= 1211.8 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3853 o DDC2109
[ DDC2109 ]
C1 ENERGY= 1035.1 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3853 o DDC2108
[ DDC2110 ]
C1 ENERGY= 1270.9 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS3854 o DDC2111
[ DDC2111 ]
C1 ENERGY= 1270.9 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS3854 o DDC2110
[ DDC2112 ]
C1 ENERGY= 1155.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3855 o DDC2113
[ DDC2113 ]
C1 ENERGY= 1005.3 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3855 o DDC2112
[ DDC2114 ]
C1 ENERGY= 1141.9 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3856 o DDC2115
[ DDC2115 ]
C1 ENERGY= 966.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3856 o DDC2114
[ DDC2116 ]
C1 ENERGY= 1286.4 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3857 o DDC2117
[ DDC2117 ]
C1 ENERGY= 1288.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3857 o DDC2116
[ DDC2118 ]
C1 ENERGY= 1286.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3858 o DDC2119
[ DDC2119 ]
C1 ENERGY= 1288.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3858 o DDC2118
[ DDC2120 ]
C1 ENERGY= 1164.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3859 o DDC2121
[ DDC2121 ]
C1 ENERGY= 967.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3859 o DDC2120
[ DDC2122 ]
C1 ENERGY= 1272.2 kJ/mol
FRAGMENTS:
CO2 HCO HO
CONNECTIONS:
o TS3860 o DDC2123
[ DDC2123 ]
C1 ENERGY= 833.6 kJ/mol
FRAGMENTS:
CO HCO HO2
CONNECTIONS:
o TS3860 o DDC2122
[ DDC2124 ]
C1 ENERGY= 706.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3861 o DDC2125
[ DDC2125 ]
C1 ENERGY= 1161.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3861 o DDC2124
[ DDC2126 ]
C1 ENERGY= 1167.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3862 o DDC2127
[ DDC2127 ]
C1 ENERGY= 974.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3862 o DDC2126
[ DDC2128 ]
C1 ENERGY= 1170.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3863 o DDC2129
[ DDC2129 ]
C1 ENERGY= 970.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3863 o DDC2128
[ DDC2130 ]
C1 ENERGY= 1229.9 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3864 o DDC2131
[ DDC2131 ]
C1 ENERGY= 257.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3864 o DDC2130
[ DDC2132 ]
C1 ENERGY= 1235.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3865 o DDC2133
[ DDC2133 ]
C1 ENERGY= 246.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3865 o DDC2132
[ DDC2134 ]
C1 ENERGY= 1296.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3866 o DDC2135
[ DDC2135 ]
C1 ENERGY= 1291.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3866 o DDC2134
[ DDC2136 ]
C1 ENERGY= 697.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3867 o DDC2137
[ DDC2137 ]
C1 ENERGY= 1296.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o TS3867 o DDC2136
[ DDC2138 ]
C1 ENERGY= 1259.5 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3868 o DDC2139
[ DDC2139 ]
C1 ENERGY= 1299.4 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3868 o DDC2138
[ DDC2140 ]
C1 ENERGY= 1287.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3869 o DDC2141
[ DDC2141 ]
C1 ENERGY= 1307.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3869 o DDC2140
[ DDC2142 ]
C1 ENERGY= 1151.5 kJ/mol
FRAGMENTS:
HC2O HO3
CONNECTIONS:
o TS3870 o DDC2143
[ DDC2143 ]
C1 ENERGY= 914.6 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3870 o DDC2142
[ DDC2144 ]
C1 ENERGY= 776.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3871 o DDC2145
[ DDC2145 ]
C1 ENERGY= 1317.6 kJ/mol
FRAGMENTS:
CO2 H2CO2
CONNECTIONS:
o TS3871 o DDC2144
[ DDC2146 ]
C1 ENERGY= 466.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3872 o DDC2147
[ DDC2147 ]
C1 ENERGY= 888.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3872 o DDC2146
[ DDC2148 ]
C1 ENERGY= 1071.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3873 o DDC2149
[ DDC2149 ]
C1 ENERGY= 888.0 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3873 o DDC2148
[ DDC2150 ]
C1 ENERGY= 980.7 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3874 o DDC2151
[ DDC2151 ]
C1 ENERGY= 1153.3 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o TS3874 o DDC2150
[ DDC2152 ]
C1 ENERGY= 1305.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3875 o DDC2153
[ DDC2153 ]
C1 ENERGY= 935.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3875 o DDC2152
[ DDC2154 ]
C1 ENERGY= 1250.6 kJ/mol
FRAGMENTS:
HCO2 CO HO
CONNECTIONS:
o TS3876 o DDC2155
[ DDC2155 ]
C1 ENERGY= 943.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3876 o DDC2154
[ DDC2156 ]
C1 ENERGY= 1298.1 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3877 o DDC2157
[ DDC2157 ]
C1 ENERGY= 885.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3877 o DDC2156
[ DDC2158 ]
C1 ENERGY= 858.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3878 o DDC2159
[ DDC2159 ]
C1 ENERGY= 820.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3878 o DDC2158
[ DDC2160 ]
C1 ENERGY= 1058.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3879 o DDC2161
[ DDC2161 ]
C1 ENERGY= 1230.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3879 o DDC2160
[ DDC2162 ]
C1 ENERGY= 1237.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3880 o DDC2163
[ DDC2163 ]
C1 ENERGY= 1062.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3880 o DDC2162
[ DDC2164 ]
C1 ENERGY= 1338.2 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3881 o DDC2165
[ DDC2165 ]
C1 ENERGY= 1328.1 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3881 o DDC2164
[ DDC2166 ]
C1 ENERGY= 882.1 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3882 o DDC2167
[ DDC2167 ]
C1 ENERGY= 1117.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3882 o DDC2166
[ DDC2168 ]
C1 ENERGY= 1288.6 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3883 o DDC2169
[ DDC2169 ]
C1 ENERGY= 1269.2 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3883 o DDC2168
[ DDC2170 ]
C1 ENERGY= 1269.5 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3884 o DDC2171
[ DDC2171 ]
C1 ENERGY= 1289.5 kJ/mol
FRAGMENTS:
C2O H2O3
CONNECTIONS:
o TS3884 o DDC2170
[ DDC2172 ]
C1 ENERGY= 1348.8 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3885 o DDC2173
[ DDC2173 ]
C1 ENERGY= 1338.3 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3885 o DDC2172
[ DDC2174 ]
C1 ENERGY= 1348.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3886 o DDC2175
[ DDC2175 ]
C1 ENERGY= 1346.4 kJ/mol
FRAGMENTS:
H2C2O4
CONNECTIONS:
o TS3886 o DDC2174
[ DDC2176 ]
C1 ENERGY= 1272.3 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3887 o DDC2177
[ DDC2177 ]
C1 ENERGY= 1276.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3887 o DDC2176
[ DDC2178 ]
C1 ENERGY= 836.1 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3888 o DDC2179
[ DDC2179 ]
C1 ENERGY= 1385.1 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3888 o DDC2178
[ DDC2180 ]
C1 ENERGY= 1379.0 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3889 o DDC2181
[ DDC2181 ]
C1 ENERGY= 1396.3 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3889 o DDC2180
[ DDC2182 ]
C1 ENERGY= 1254.6 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3890 o DDC2183
[ DDC2183 ]
C1 ENERGY= 1333.3 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3890 o DDC2182
[ DDC2184 ]
C1 ENERGY= 1418.6 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3891 o DDC2185
[ DDC2185 ]
C1 ENERGY= 1419.2 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o TS3891 o DDC2184
[ DDC2186 ]
C1 ENERGY= 1425.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3892 o DDC2187
[ DDC2187 ]
C1 ENERGY= 1422.7 kJ/mol
FRAGMENTS:
H2CO2 CO2
CONNECTIONS:
o TS3892 o DDC2186
[ DDC2188 ]
C1 ENERGY= 1346.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3893 o DDC2189
[ DDC2189 ]
C1 ENERGY= 1348.8 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3893 o DDC2188
[ DDC2190 ]
C1 ENERGY= 1196.0 kJ/mol
FRAGMENTS:
H2C2 O4
CONNECTIONS:
o TS3894 o DDC2191
[ DDC2191 ]
C1 ENERGY= 1172.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o TS3894 o DDC2190
[ DDC2192 ]
C1 ENERGY= 1405.7 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3895 o DDC2193
[ DDC2193 ]
C1 ENERGY= 1463.0 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3895 o DDC2192
[ DDC2194 ]
C1 ENERGY= 1267.6 kJ/mol
FRAGMENTS:
C2O2 H2O2
CONNECTIONS:
o TS3896 o DDC2195
[ DDC2195 ]
C1 ENERGY= 1347.6 kJ/mol
FRAGMENTS:
HC2O2 HO2
CONNECTIONS:
o TS3896 o DDC2194
[ DDC2196 ]
C1 ENERGY= 982.3 kJ/mol
FRAGMENTS:
CO3 H2CO
CONNECTIONS:
o TS3897 o DDC2197
[ DDC2197 ]
Cs ENERGY= 1318.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o TS3897 o DDC2196
[ UDC0 ]
Cs ENERGY= 512.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ0 o
INSERT of UDC0
[ UDC1 ]
Cs ENERGY= 514.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ1 o
[ UDC2 ]
Cs ENERGY= 872.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ1 o
[ UDC3 ]
Cs ENERGY= 389.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ2 o
[ UDC4 ]
C1 ENERGY= 503.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ2 o
[ UDC5 ]
C1 ENERGY= 930.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ2 o
[ UDC6 ]
Cs ENERGY= 508.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ3 o
[ UDC7 ]
Cs ENERGY= 550.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ3 o
[ UDC8 ]
Cs ENERGY= 928.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ3 o
[ UDC9 ]
Cs ENERGY= 890.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ4 o
[ UDC10 ]
C2h ENERGY= 390.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ5 o
[ UDC11 ]
C1 ENERGY= 909.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ5 o
[ UDC12 ]
C1 ENERGY= 509.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ6 o
[ UDC13 ]
C1 ENERGY= 843.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ6 o
[ UDC14 ]
C2 ENERGY= 386.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ7 o
[ UDC15 ]
C1 ENERGY= 871.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ8 o
[ UDC16 ]
C1 ENERGY= 396.5 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ9 o
[ UDC17 ]
C1 ENERGY= 514.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ9 o
[ UDC18 ]
C1 ENERGY= 948.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ9 o
[ UDC19 ]
C1 ENERGY= 920.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ10 o
[ UDC20 ]
C1 ENERGY= 519.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ11 o
[ UDC21 ]
C1 ENERGY= 857.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ11 o
[ UDC22 ]
C1 ENERGY= 932.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ11 o
[ UDC23 ]
Cs ENERGY= 583.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ12 o
[ UDC24 ]
Cs ENERGY= 919.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ12 o
[ UDC25 ]
C1 ENERGY= 570.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ14 o
[ UDC26 ]
C1 ENERGY= 644.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ14 o
[ UDC27 ]
Cs ENERGY= 1043.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ16 o
[ UDC28 ]
Cs ENERGY= 612.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ17 o
[ UDC29 ]
Cs ENERGY= 1046.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ17 o
[ UDC30 ]
Cs ENERGY= 695.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ20 o
[ UDC31 ]
Cs ENERGY= 741.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ20 o
[ UDC32 ]
Cs ENERGY= 1046.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ20 o
[ UDC33 ]
C1 ENERGY= 603.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ21 o
[ UDC34 ]
C1 ENERGY= 766.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ21 o
[ UDC35 ]
Cs ENERGY= 1042.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ21 o
[ UDC36 ]
C1 ENERGY= 611.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ24 o
[ UDC37 ]
C1 ENERGY= 1058.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ24 o
[ UDC38 ]
Cs ENERGY= 611.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ25 o
[ UDC39 ]
Cs ENERGY= 1051.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ25 o
[ UDC40 ]
Cs ENERGY= 1061.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ26 o
[ UDC41 ]
C1 ENERGY= 1059.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ28 o
[ UDC42 ]
C1 ENERGY= 620.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ29 o
[ UDC43 ]
C1 ENERGY= 1094.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ29 o
[ UDC44 ]
C1 ENERGY= 1081.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ30 o
[ UDC45 ]
C1 ENERGY= 754.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ32 o
[ UDC46 ]
C1 ENERGY= 645.3 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o EQ33 o
[ UDC47 ]
C1 ENERGY= 757.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ33 o
[ UDC48 ]
C1 ENERGY= 764.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ34 o
[ UDC49 ]
Cs ENERGY= 806.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ38 o
[ UDC50 ]
Cs ENERGY= 809.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ39 o
[ UDC51 ]
C1 ENERGY= 791.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ40 o
[ UDC52 ]
C1 ENERGY= 902.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ40 o
[ UDC53 ]
C1 ENERGY= 886.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ41 o
[ UDC54 ]
C1 ENERGY= 1233.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ41 o
[ UDC55 ]
Cs ENERGY= 802.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ42 o
[ UDC56 ]
C1 ENERGY= 894.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ42 o
[ UDC57 ]
C1 ENERGY= 887.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ44 o
[ UDC58 ]
C1 ENERGY= 1245.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ44 o
[ UDC59 ]
C1 ENERGY= 875.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ46 o
[ UDC60 ]
Cs ENERGY= 778.0 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ47 o
[ UDC61 ]
Cs ENERGY= 877.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ47 o
[ UDC62 ]
C1 ENERGY= 1246.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ47 o
[ UDC63 ]
C1 ENERGY= 1233.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ48 o
[ UDC64 ]
C1 ENERGY= 885.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ49 o
[ UDC65 ]
C1 ENERGY= 1264.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ49 o
[ UDC66 ]
C1 ENERGY= 790.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ51 o
[ UDC67 ]
C1 ENERGY= 882.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ51 o
[ UDC68 ]
Cs ENERGY= 1256.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ51 o
[ UDC69 ]
Cs ENERGY= 851.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ52 o
[ UDC70 ]
Cs ENERGY= 911.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ52 o
[ UDC71 ]
Cs ENERGY= 1298.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ52 o
[ UDC72 ]
Cs ENERGY= 853.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ53 o
[ UDC73 ]
Cs ENERGY= 912.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ53 o
[ UDC74 ]
Cs ENERGY= 1302.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ53 o
[ UDC75 ]
Cs ENERGY= 914.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ54 o
[ UDC76 ]
Cs ENERGY= 1292.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ54 o
[ UDC77 ]
C1 ENERGY= 875.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ56 o
[ UDC78 ]
Cs ENERGY= 812.0 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o EQ57 o
[ UDC79 ]
Cs ENERGY= 879.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ57 o
[ UDC80 ]
C1 ENERGY= 777.0 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o EQ58 o
[ UDC81 ]
C1 ENERGY= 883.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ58 o
[ UDC82 ]
C1 ENERGY= 926.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ61 o
[ UDC83 ]
C1 ENERGY= 951.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ62 o
[ UDC84 ]
C1 ENERGY= 1282.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ62 o
[ UDC85 ]
C1 ENERGY= 962.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ63 o
[ UDC86 ]
C1 ENERGY= 923.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ64 o
[ UDC87 ]
Cs ENERGY= 920.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ66 o
[ UDC88 ]
Cs ENERGY= 711.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ67 o
[ UDC89 ]
C1 ENERGY= 884.2 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ67 o
[ UDC90 ]
Cs ENERGY= 905.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ67 o
[ UDC91 ]
Cs ENERGY= 1018.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ67 o
[ UDC92 ]
C1 ENERGY= 1330.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ67 o
[ UDC93 ]
Cs ENERGY= 719.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ68 o
[ UDC94 ]
Cs ENERGY= 881.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ68 o
[ UDC95 ]
Cs ENERGY= 985.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ68 o
[ UDC96 ]
Cs ENERGY= 1308.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ68 o
[ UDC97 ]
C1 ENERGY= 750.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ69 o
[ UDC98 ]
Cs ENERGY= 948.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ69 o
[ UDC99 ]
Cs ENERGY= 1025.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ69 o
[ UDC100 ]
Cs ENERGY= 1419.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ69 o
[ UDC101 ]
Cs ENERGY= 717.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ70 o
[ UDC102 ]
Cs ENERGY= 1037.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ70 o
[ UDC103 ]
C1 ENERGY= 1351.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ70 o
[ UDC104 ]
C1 ENERGY= 880.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ71 o
[ UDC105 ]
C1 ENERGY= 1023.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ73 o
[ UDC106 ]
C1 ENERGY= 733.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ75 o
[ UDC107 ]
C1 ENERGY= 1335.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ75 o
[ UDC108 ]
Cs ENERGY= 957.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ76 o
[ UDC109 ]
C1 ENERGY= 1034.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ76 o
[ UDC110 ]
Cs ENERGY= 1414.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ76 o
[ UDC111 ]
Cs ENERGY= 1423.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ77 o
[ UDC112 ]
Cs ENERGY= 1033.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ78 o
[ UDC113 ]
Cs ENERGY= 713.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ82 o
[ UDC114 ]
Cs ENERGY= 970.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ82 o
[ UDC115 ]
Cs ENERGY= 700.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ84 o
[ UDC116 ]
Cs ENERGY= 1003.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ84 o
[ UDC117 ]
Cs ENERGY= 967.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ85 o
[ UDC118 ]
C1 ENERGY= 705.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ87 o
[ UDC119 ]
Cs ENERGY= 710.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ87 o
[ UDC120 ]
C1 ENERGY= 1007.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ87 o
[ UDC121 ]
Cs ENERGY= 1022.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ87 o
[ UDC122 ]
Cs ENERGY= 751.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ88 o
[ UDC123 ]
Cs ENERGY= 998.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ88 o
[ UDC124 ]
Cs ENERGY= 1018.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ88 o
[ UDC125 ]
Cs ENERGY= 1344.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ88 o
[ UDC126 ]
Cs ENERGY= 975.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ89 o
[ UDC127 ]
Cs ENERGY= 1443.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ89 o
[ UDC128 ]
Cs ENERGY= 1067.9 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ90 o
[ UDC129 ]
C1 ENERGY= 1443.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ92 o
[ UDC130 ]
Cs ENERGY= 982.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ93 o
[ UDC131 ]
Cs ENERGY= 1033.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ93 o
[ UDC132 ]
Cs ENERGY= 1444.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ93 o
[ UDC133 ]
C1 ENERGY= 700.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ94 o
[ UDC134 ]
C1 ENERGY= 859.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ94 o
[ UDC135 ]
C1 ENERGY= 984.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ94 o
[ UDC136 ]
C1 ENERGY= 1029.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ94 o
[ UDC137 ]
Cs ENERGY= 778.5 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o EQ95 o
[ UDC138 ]
Cs ENERGY= 986.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ95 o
[ UDC139 ]
Cs ENERGY= 706.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ96 o
[ UDC140 ]
Cs ENERGY= 1025.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ96 o
[ UDC141 ]
Cs ENERGY= 1028.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ96 o
[ UDC142 ]
Cs ENERGY= 1444.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ96 o
[ UDC143 ]
C1 ENERGY= 723.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ97 o
[ UDC144 ]
Cs ENERGY= 1021.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ97 o
[ UDC145 ]
C1 ENERGY= 1039.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ97 o
[ UDC146 ]
Cs ENERGY= 1449.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ97 o
[ UDC147 ]
C1 ENERGY= 1012.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ98 o
[ UDC148 ]
C1 ENERGY= 1018.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ98 o
[ UDC149 ]
C1 ENERGY= 1436.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ99 o
[ UDC150 ]
C1 ENERGY= 1051.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ100 o
[ UDC151 ]
Cs ENERGY= 992.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ102 o
[ UDC152 ]
C1 ENERGY= 1042.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ102 o
[ UDC153 ]
C1 ENERGY= 964.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ103 o
[ UDC154 ]
C1 ENERGY= 990.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ105 o
[ UDC155 ]
C1 ENERGY= 733.9 kJ/mol
FRAGMENTS:
HCO HCO3
CONNECTIONS:
o EQ106 o
[ UDC156 ]
C1 ENERGY= 993.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ106 o
[ UDC157 ]
C1 ENERGY= 978.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ107 o
[ UDC158 ]
C1 ENERGY= 1006.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ107 o
[ UDC159 ]
Cs ENERGY= 757.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ109 o
[ UDC160 ]
Cs ENERGY= 1416.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ109 o
[ UDC161 ]
Cs ENERGY= 1007.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ110 o
[ UDC162 ]
C1 ENERGY= 1066.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ111 o
[ UDC163 ]
C1 ENERGY= 999.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ112 o
[ UDC164 ]
Cs ENERGY= 1054.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ112 o
[ UDC165 ]
Cs ENERGY= 969.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ113 o
[ UDC166 ]
C1 ENERGY= 1101.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ118 o
[ UDC167 ]
C1 ENERGY= 1079.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ120 o
[ UDC168 ]
Cs ENERGY= 1069.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ124 o
[ UDC169 ]
C1 ENERGY= 709.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ125 o
[ UDC170 ]
C1 ENERGY= 588.4 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o EQ126 o
[ UDC171 ]
Cs ENERGY= 962.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ127 o
[ UDC172 ]
Cs ENERGY= 1063.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ127 o
[ UDC173 ]
Cs ENERGY= 1184.3 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ128 o
[ UDC174 ]
C1 ENERGY= 873.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ129 o
[ UDC175 ]
Cs ENERGY= 1104.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ131 o
[ UDC176 ]
C1 ENERGY= 1197.7 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ131 o
[ UDC177 ]
Cs ENERGY= 1097.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ133 o
[ UDC178 ]
C1 ENERGY= 870.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ134 o
[ UDC179 ]
C1 ENERGY= 1078.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ136 o
[ UDC180 ]
Cs ENERGY= 962.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ137 o
[ UDC181 ]
Cs ENERGY= 1098.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ137 o
[ UDC182 ]
C1 ENERGY= 872.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ139 o
[ UDC183 ]
C1 ENERGY= 1069.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ140 o
[ UDC184 ]
C1 ENERGY= 862.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ141 o
[ UDC185 ]
Cs ENERGY= 980.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ142 o
[ UDC186 ]
Cs ENERGY= 742.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ143 o
[ UDC187 ]
C1 ENERGY= 1076.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ143 o
[ UDC188 ]
C1 ENERGY= 1082.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ144 o
[ UDC189 ]
C1 ENERGY= 742.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ145 o
[ UDC190 ]
C1 ENERGY= 1120.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ145 o
[ UDC191 ]
C1 ENERGY= 1086.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ146 o
[ UDC192 ]
Cs ENERGY= 730.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ147 o
[ UDC193 ]
Cs ENERGY= 1500.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ147 o
[ UDC194 ]
Cs ENERGY= 975.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ148 o
[ UDC195 ]
Cs ENERGY= 1108.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ148 o
[ UDC196 ]
C1 ENERGY= 1107.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ149 o
[ UDC197 ]
C1 ENERGY= 747.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ150 o
[ UDC198 ]
C1 ENERGY= 1064.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ150 o
[ UDC199 ]
C1 ENERGY= 1481.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ150 o
[ UDC200 ]
C1 ENERGY= 952.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ151 o
[ UDC201 ]
C1 ENERGY= 1115.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ151 o
[ UDC202 ]
C1 ENERGY= 1430.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ153 o
[ UDC203 ]
C1 ENERGY= 1007.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ155 o
[ UDC204 ]
C1 ENERGY= 1011.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ156 o
[ UDC205 ]
Cs ENERGY= 1150.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ158 o
[ UDC206 ]
C1 ENERGY= 1476.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ161 o
[ UDC207 ]
C1 ENERGY= 944.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ162 o
[ UDC208 ]
C1 ENERGY= 1113.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ162 o
[ UDC209 ]
C1 ENERGY= 1146.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ164 o
[ UDC210 ]
C1 ENERGY= 1131.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ166 o
[ UDC211 ]
C1 ENERGY= 898.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ168 o
[ UDC212 ]
C1 ENERGY= 965.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ175 o
[ UDC213 ]
C1 ENERGY= 825.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ176 o
[ UDC214 ]
C1 ENERGY= 1129.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ177 o
[ UDC215 ]
C1 ENERGY= 973.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ178 o
[ UDC216 ]
C1 ENERGY= 975.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ180 o
[ UDC217 ]
C1 ENERGY= 829.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ183 o
[ UDC218 ]
C1 ENERGY= 1079.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ184 o
[ UDC219 ]
C1 ENERGY= 1143.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ190 o
[ UDC220 ]
C1 ENERGY= 1074.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ192 o
[ UDC221 ]
Cs ENERGY= 1216.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ195 o
[ UDC222 ]
Cs ENERGY= 1070.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ197 o
[ UDC223 ]
Cs ENERGY= 1239.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ197 o
[ UDC224 ]
Cs ENERGY= 882.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ199 o
[ UDC225 ]
Cs ENERGY= 1204.2 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ199 o
[ UDC226 ]
C1 ENERGY= 1216.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ199 o
[ UDC227 ]
C1 ENERGY= 1137.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ201 o
[ UDC228 ]
Cs ENERGY= 1076.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ205 o
[ UDC229 ]
Cs ENERGY= 888.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ207 o
[ UDC230 ]
Cs ENERGY= 1088.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ207 o
[ UDC231 ]
C1 ENERGY= 1223.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ207 o
[ UDC232 ]
Cs ENERGY= 878.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ209 o
[ UDC233 ]
C1 ENERGY= 1059.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ209 o
[ UDC234 ]
Cs ENERGY= 1098.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ209 o
[ UDC235 ]
Cs ENERGY= 1220.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ209 o
[ UDC236 ]
Cs ENERGY= 1074.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ211 o
[ UDC237 ]
C1 ENERGY= 1158.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ212 o
[ UDC238 ]
C1 ENERGY= 1155.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ213 o
[ UDC239 ]
Cs ENERGY= 893.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ214 o
[ UDC240 ]
C1 ENERGY= 1054.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ214 o
[ UDC241 ]
Cs ENERGY= 1219.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ214 o
[ UDC242 ]
C1 ENERGY= 1173.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ216 o
[ UDC243 ]
C1 ENERGY= 979.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ217 o
[ UDC244 ]
C1 ENERGY= 1190.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ217 o
[ UDC245 ]
C1 ENERGY= 1073.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ221 o
[ UDC246 ]
C1 ENERGY= 1247.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ221 o
[ UDC247 ]
C1 ENERGY= 1170.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ224 o
[ UDC248 ]
C1 ENERGY= 861.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ225 o
[ UDC249 ]
C1 ENERGY= 982.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ225 o
[ UDC250 ]
C1 ENERGY= 1529.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ225 o
[ UDC251 ]
C1 ENERGY= 840.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ230 o
[ UDC252 ]
C1 ENERGY= 984.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ230 o
[ UDC253 ]
C1 ENERGY= 985.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ231 o
[ UDC254 ]
C1 ENERGY= 1166.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ233 o
[ UDC255 ]
Cs ENERGY= 1075.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ234 o
[ UDC256 ]
C1 ENERGY= 977.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ237 o
[ UDC257 ]
C1 ENERGY= 1183.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ237 o
[ UDC258 ]
C1 ENERGY= 981.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ239 o
[ UDC259 ]
C1 ENERGY= 1533.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ239 o
[ UDC260 ]
C1 ENERGY= 1096.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ244 o
[ UDC261 ]
C1 ENERGY= 1159.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ245 o
[ UDC262 ]
Cs ENERGY= 1011.4 kJ/mol
FRAGMENTS:
HCO3 HCO
CONNECTIONS:
o EQ247 o
[ UDC263 ]
Cs ENERGY= 1144.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ247 o
[ UDC264 ]
C1 ENERGY= 981.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ250 o
[ UDC265 ]
Cs ENERGY= 971.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ251 o
[ UDC266 ]
C1 ENERGY= 1107.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ252 o
[ UDC267 ]
C1 ENERGY= 1227.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ252 o
[ UDC268 ]
C1 ENERGY= 907.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ254 o
[ UDC269 ]
Cs ENERGY= 1103.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ254 o
[ UDC270 ]
Cs ENERGY= 1096.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ256 o
[ UDC271 ]
C1 ENERGY= 1094.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ263 o
[ UDC272 ]
C1 ENERGY= 905.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ264 o
[ UDC273 ]
Cs ENERGY= 1108.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ264 o
[ UDC274 ]
C1 ENERGY= 1226.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ264 o
[ UDC275 ]
Cs ENERGY= 816.5 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ265 o
[ UDC276 ]
Cs ENERGY= 1242.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ265 o
[ UDC277 ]
Cs ENERGY= 1102.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ266 o
[ UDC278 ]
Cs ENERGY= 1226.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ266 o
[ UDC279 ]
Cs ENERGY= 1057.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ267 o
[ UDC280 ]
Cs ENERGY= 902.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ269 o
[ UDC281 ]
C2h ENERGY= 1135.8 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ272 o
[ UDC282 ]
Cs ENERGY= 1213.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ272 o
[ UDC283 ]
Cs ENERGY= 885.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ274 o
[ UDC284 ]
Cs ENERGY= 1208.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ274 o
[ UDC285 ]
Cs ENERGY= 948.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ278 o
[ UDC286 ]
Cs ENERGY= 1209.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ280 o
[ UDC287 ]
C1 ENERGY= 1223.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ285 o
[ UDC288 ]
C1 ENERGY= 943.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ287 o
[ UDC289 ]
C1 ENERGY= 1214.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ287 o
[ UDC290 ]
Cs ENERGY= 887.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ288 o
[ UDC291 ]
Cs ENERGY= 1644.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ288 o
[ UDC292 ]
C1 ENERGY= 1206.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ289 o
[ UDC293 ]
C1 ENERGY= 766.5 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o EQ290 o
[ UDC294 ]
Cs ENERGY= 885.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ293 o
[ UDC295 ]
Cs ENERGY= 1678.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ293 o
[ UDC296 ]
C1 ENERGY= 1153.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ295 o
[ UDC297 ]
C1 ENERGY= 1250.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ295 o
[ UDC298 ]
Cs ENERGY= 889.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ297 o
[ UDC299 ]
C1 ENERGY= 1091.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ297 o
[ UDC300 ]
Cs ENERGY= 1167.4 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ297 o
[ UDC301 ]
Cs ENERGY= 1227.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ297 o
[ UDC302 ]
Cs ENERGY= 1706.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ297 o
[ UDC303 ]
C1 ENERGY= 894.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ300 o
[ UDC304 ]
Cs ENERGY= 1239.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ300 o
[ UDC305 ]
Cs ENERGY= 1693.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ300 o
[ UDC306 ]
C1 ENERGY= 1254.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ301 o
[ UDC307 ]
C1 ENERGY= 791.0 kJ/mol
FRAGMENTS:
H2CO3 CO
CONNECTIONS:
o EQ302 o
[ UDC308 ]
C1 ENERGY= 921.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ302 o
[ UDC309 ]
Cs ENERGY= 905.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ304 o
[ UDC310 ]
Cs ENERGY= 1249.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ304 o
[ UDC311 ]
Cs ENERGY= 1713.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ304 o
[ UDC312 ]
Cs ENERGY= 917.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ306 o
[ UDC313 ]
Cs ENERGY= 1266.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ306 o
[ UDC314 ]
C1 ENERGY= 1263.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ308 o
[ UDC315 ]
C1 ENERGY= 1246.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ310 o
[ UDC316 ]
C1 ENERGY= 920.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ311 o
[ UDC317 ]
Cs ENERGY= 1260.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ311 o
[ UDC318 ]
Cs ENERGY= 1721.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ311 o
[ UDC319 ]
Cs ENERGY= 961.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ312 o
[ UDC320 ]
C1 ENERGY= 942.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ313 o
[ UDC321 ]
C1 ENERGY= 1102.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ313 o
[ UDC322 ]
Cs ENERGY= 956.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ314 o
[ UDC323 ]
C1 ENERGY= 1229.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ316 o
[ UDC324 ]
Cs ENERGY= 985.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ318 o
[ UDC325 ]
C1 ENERGY= 1094.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ318 o
[ UDC326 ]
C1 ENERGY= 1002.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ319 o
[ UDC327 ]
Cs ENERGY= 1003.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ320 o
[ UDC328 ]
C1 ENERGY= 987.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ322 o
[ UDC329 ]
C1 ENERGY= 975.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ323 o
[ UDC330 ]
C1 ENERGY= 968.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ324 o
[ UDC331 ]
C1 ENERGY= 1122.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ324 o
[ UDC332 ]
C1 ENERGY= 1340.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ324 o
[ UDC333 ]
C1 ENERGY= 960.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ325 o
[ UDC334 ]
C1 ENERGY= 1187.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ326 o
[ UDC335 ]
C1 ENERGY= 1187.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ327 o
[ UDC336 ]
C1 ENERGY= 1239.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ328 o
[ UDC337 ]
Cs ENERGY= 1368.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ329 o
[ UDC338 ]
Cs ENERGY= 1377.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ330 o
[ UDC339 ]
C1 ENERGY= 1226.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ331 o
[ UDC340 ]
C1 ENERGY= 1372.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ333 o
[ UDC341 ]
Cs ENERGY= 998.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ334 o
[ UDC342 ]
C1 ENERGY= 1242.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ334 o
[ UDC343 ]
C1 ENERGY= 980.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ336 o
[ UDC344 ]
Cs ENERGY= 1244.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ337 o
[ UDC345 ]
C1 ENERGY= 1117.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ338 o
[ UDC346 ]
C1 ENERGY= 1330.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ338 o
[ UDC347 ]
C1 ENERGY= 1386.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ340 o
[ UDC348 ]
C1 ENERGY= 1241.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ341 o
[ UDC349 ]
C1 ENERGY= 1021.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ342 o
[ UDC350 ]
C1 ENERGY= 1400.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ343 o
[ UDC351 ]
C1 ENERGY= 1117.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ344 o
[ UDC352 ]
C1 ENERGY= 1328.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ344 o
[ UDC353 ]
C1 ENERGY= 1088.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ346 o
[ UDC354 ]
Cs ENERGY= 1262.6 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ346 o
[ UDC355 ]
C1 ENERGY= 1372.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ346 o
[ UDC356 ]
C1 ENERGY= 996.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ349 o
[ UDC357 ]
Cs ENERGY= 1018.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ350 o
[ UDC358 ]
Cs ENERGY= 1102.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ351 o
[ UDC359 ]
Cs ENERGY= 1335.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ351 o
[ UDC360 ]
Cs ENERGY= 1397.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ351 o
[ UDC361 ]
C1 ENERGY= 1408.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ352 o
[ UDC362 ]
Cs ENERGY= 1154.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ358 o
[ UDC363 ]
C1 ENERGY= 1270.8 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ358 o
[ UDC364 ]
Cs ENERGY= 1152.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ360 o
[ UDC365 ]
Cs ENERGY= 1411.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ360 o
[ UDC366 ]
C2h ENERGY= 1420.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ360 o
[ UDC367 ]
C1 ENERGY= 1378.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ361 o
[ UDC368 ]
C1 ENERGY= 999.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ366 o
[ UDC369 ]
C1 ENERGY= 1172.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ366 o
[ UDC370 ]
C1 ENERGY= 1012.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ371 o
[ UDC371 ]
C1 ENERGY= 1171.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ371 o
[ UDC372 ]
C1 ENERGY= 1755.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ371 o
[ UDC373 ]
C1 ENERGY= 1381.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ373 o
[ UDC374 ]
C1 ENERGY= 1174.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ374 o
[ UDC375 ]
Cs ENERGY= 1177.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ374 o
[ UDC376 ]
Cs ENERGY= 1410.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ374 o
[ UDC377 ]
Cs ENERGY= 1445.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ374 o
[ UDC378 ]
C1 ENERGY= 1418.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ375 o
[ UDC379 ]
C1 ENERGY= 1354.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ376 o
[ UDC380 ]
Cs ENERGY= 1163.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ377 o
[ UDC381 ]
C2 ENERGY= 1416.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ377 o
[ UDC382 ]
Cs ENERGY= 1437.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ377 o
[ UDC383 ]
C1 ENERGY= 1358.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ379 o
[ UDC384 ]
C1 ENERGY= 1356.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ382 o
[ UDC385 ]
C1 ENERGY= 1228.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ389 o
[ UDC386 ]
Cs ENERGY= 1088.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ395 o
[ UDC387 ]
C1 ENERGY= 1186.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ396 o
[ UDC388 ]
Cs ENERGY= 1468.6 kJ/mol
FRAGMENTS:
HC2O3 HO
CONNECTIONS:
o EQ398 o
[ UDC389 ]
Cs ENERGY= 1423.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ399 o
[ UDC390 ]
C1 ENERGY= 1112.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ400 o
[ UDC391 ]
C1 ENERGY= 1431.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ400 o
[ UDC392 ]
Cs ENERGY= 1347.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ403 o
[ UDC393 ]
C1 ENERGY= 1434.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ405 o
[ UDC394 ]
C1 ENERGY= 1256.5 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ406 o
[ UDC395 ]
C1 ENERGY= 1437.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ406 o
[ UDC396 ]
C1 ENERGY= 1106.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ409 o
[ UDC397 ]
C1 ENERGY= 1258.7 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ409 o
[ UDC398 ]
C1 ENERGY= 1256.9 kJ/mol
FRAGMENTS:
H2C2O2 O2
CONNECTIONS:
o EQ411 o
[ UDC399 ]
C1 ENERGY= 1439.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ411 o
[ UDC400 ]
Cs ENERGY= 1482.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ414 o
[ UDC401 ]
C1 ENERGY= 1492.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ417 o
[ UDC402 ]
C1 ENERGY= 1107.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ418 o
[ UDC403 ]
C1 ENERGY= 1476.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ419 o
[ UDC404 ]
C1 ENERGY= 986.1 kJ/mol
FRAGMENTS:
H2C2O O3
CONNECTIONS:
o EQ422 o
[ UDC405 ]
C1 ENERGY= 1112.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ424 o
[ UDC406 ]
Cs ENERGY= 1371.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ424 o
[ UDC407 ]
C1 ENERGY= 1433.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ426 o
[ UDC408 ]
Cs ENERGY= 1122.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ428 o
[ UDC409 ]
C1 ENERGY= 1380.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ433 o
[ UDC410 ]
Cs ENERGY= 1179.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ436 o
[ UDC411 ]
Cs ENERGY= 1174.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ438 o
[ UDC412 ]
C1 ENERGY= 1362.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ439 o
[ UDC413 ]
C1 ENERGY= 1243.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ440 o
[ UDC414 ]
C1 ENERGY= 1564.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ440 o
[ UDC415 ]
Cs ENERGY= 1190.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ444 o
[ UDC416 ]
C1 ENERGY= 1294.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ445 o
[ UDC417 ]
Cs ENERGY= 1146.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ446 o
[ UDC418 ]
C1 ENERGY= 1478.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ447 o
[ UDC419 ]
C1 ENERGY= 1289.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ451 o
[ UDC420 ]
C1 ENERGY= 1424.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ452 o
[ UDC421 ]
C1 ENERGY= 1299.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ454 o
[ UDC422 ]
C1 ENERGY= 1620.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ454 o
[ UDC423 ]
C1 ENERGY= 1412.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ456 o
[ UDC424 ]
C1 ENERGY= 1409.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ457 o
[ UDC425 ]
C1 ENERGY= 1474.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ459 o
[ UDC426 ]
C1 ENERGY= 1545.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ460 o
[ UDC427 ]
C1 ENERGY= 1522.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ461 o
[ UDC428 ]
C1 ENERGY= 1541.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ465 o
[ UDC429 ]
C1 ENERGY= 1515.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ467 o
[ UDC430 ]
C1 ENERGY= 1536.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ470 o
[ UDC431 ]
C1 ENERGY= 1539.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ471 o
[ UDC432 ]
C1 ENERGY= 1522.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ472 o
[ UDC433 ]
C1 ENERGY= 1555.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ472 o
[ UDC434 ]
C1 ENERGY= 1514.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ473 o
[ UDC435 ]
C1 ENERGY= 1553.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ475 o
[ UDC436 ]
C1 ENERGY= 1534.9 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ476 o
[ UDC437 ]
C1 ENERGY= 1547.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ478 o
[ UDC438 ]
C1 ENERGY= 1538.3 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ480 o
[ UDC439 ]
C1 ENERGY= 1613.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ492 o
[ UDC440 ]
C1 ENERGY= 1647.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ492 o
[ UDC441 ]
C1 ENERGY= 1574.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ500 o
[ UDC442 ]
C1 ENERGY= 1565.7 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ505 o
[ UDC443 ]
C1 ENERGY= 1256.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ508 o
[ UDC444 ]
C1 ENERGY= 1362.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ509 o
[ UDC445 ]
C1 ENERGY= 1635.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ510 o
[ UDC446 ]
C1 ENERGY= 1318.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ520 o
[ UDC447 ]
C1 ENERGY= 1319.4 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ522 o
[ UDC448 ]
Cs ENERGY= 1635.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ522 o
[ UDC449 ]
C1 ENERGY= 1476.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ523 o
[ UDC450 ]
C1 ENERGY= 1517.7 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ523 o
[ UDC451 ]
C1 ENERGY= 1356.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ530 o
[ UDC452 ]
C1 ENERGY= 1336.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ531 o
[ UDC453 ]
C1 ENERGY= 1486.0 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ531 o
[ UDC454 ]
Cs ENERGY= 1347.1 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ533 o
[ UDC455 ]
C1 ENERGY= 1353.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ534 o
[ UDC456 ]
C1 ENERGY= 1656.1 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ539 o
[ UDC457 ]
C1 ENERGY= 1354.0 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ541 o
[ UDC458 ]
Cs ENERGY= 1655.1 kJ/mol
FRAGMENTS:
HCO2 HCO2
CONNECTIONS:
o EQ542 o
[ UDC459 ]
C1 ENERGY= 1403.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ546 o
[ UDC460 ]
C1 ENERGY= 1509.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ546 o
[ UDC461 ]
C1 ENERGY= 1563.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ547 o
[ UDC462 ]
Cs ENERGY= 1409.3 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ548 o
[ UDC463 ]
C1 ENERGY= 1585.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ555 o
[ UDC464 ]
C1 ENERGY= 1780.4 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ555 o
[ UDC465 ]
C1 ENERGY= 1587.2 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ556 o
[ UDC466 ]
C1 ENERGY= 1769.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ556 o
[ UDC467 ]
Cs ENERGY= 1444.7 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ558 o
[ UDC468 ]
Cs ENERGY= 1459.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ558 o
[ UDC469 ]
Cs ENERGY= 1599.4 kJ/mol
FRAGMENTS:
HCO4 HC
CONNECTIONS:
o EQ558 o
[ UDC470 ]
Cs ENERGY= 1734.8 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ558 o
[ UDC471 ]
C1 ENERGY= 1777.5 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ562 o
[ UDC472 ]
Cs ENERGY= 1475.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ564 o
[ UDC473 ]
Cs ENERGY= 1476.6 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ565 o
[ UDC474 ]
Cs ENERGY= 1460.2 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ566 o
[ UDC475 ]
Cs ENERGY= 1845.6 kJ/mol
FRAGMENTS:
HC2O4 H
CONNECTIONS:
o EQ566 o
[ UDC476 ]
C1 ENERGY= 1496.8 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ567 o
[ UDC477 ]
Cs ENERGY= 1494.9 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ570 o
[ UDC478 ]
C1 ENERGY= 1497.5 kJ/mol
FRAGMENTS:
H2C2O3 O
CONNECTIONS:
o EQ575 o
xx: This is an exceptional case, which could not be assigned during the GRRM
procedures. It is possibly due to a very shallow well of numerical thresholds,
a minimum with negative Hessians, or artifacts associated with the computation.
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