Reaction Routes of
H4C2O2
Explored by
_
G_
R_
R_
M
at the Level of
RHF/6-31+G*
© 2009 Koichi OHNO
Cs ENERGY= 0.0 kJ/mol ( -227.8179205 Hartree)
CONNECTIONS:
o TS0 ( 2.4) o EQ0
o TS1 (206.0) o EQ0
o TS2 (512.9) o EQ0
o TS3 ( 57.2) o EQ1
o TS4 (393.0) o EQ8
o TS5 (528.9) o EQ17
o TS6 (503.1) o EQ21
o TS7 (618.3) o EQ22
o TS8 (805.3) o EQ59
o TS9 (824.1) o EQ59
o TS10(416.7) o DDC0
o TS11(494.7) o DDC1
o TS12(505.5) o DDC2
o TS13(549.7) o DDC3
o UDC0 o
o UDC1 o
Cs ENERGY= 29.7 kJ/mol ( -227.8066099 Hartree)
CONNECTIONS:
o TS3 ( 57.2) o EQ0
o TS14( 33.1) o EQ1
o TS15(535.7) o EQ1
o TS16(401.3) o EQ9
o TS17(505.5) o EQ20
o TS18(614.3) o EQ59
o TS19(846.0) o EQ79
o TS20(525.5) o DDC4
o UDC2 o
o UDC3 o
o UDC4 o
Cs ENERGY= 57.0 kJ/mol ( -227.7962040 Hartree)
CONNECTIONS:
o TS21( 62.5) o EQ2
o TS22(344.3) o EQ2
o TS23(416.8) o EQ2
o TS24(110.3) o EQ3
o TS25(666.4) o EQ6
o TS26(692.7) o EQ66
o TS27(443.7) o DDC5
o TS28(492.0) o DDC6
o TS29(534.9) o DDC7
o TS30(535.3) o DDC8
o UDC5 o
o UDC6 o
o UDC7 o
Cs ENERGY= 82.8 kJ/mol ( -227.7863821 Hartree)
CONNECTIONS:
o TS24(110.3) o EQ2
o TS31( 84.2) o EQ3
o TS32(473.6) o EQ20
o TS33(904.1) o EQ81
o TS34(501.9) o DDC9
o TS35(521.7) o DDC10
o TS36(533.8) o DDC11
o TS37(553.8) o DDC12
o UDC8 o
o UDC9 o
Cs ENERGY= 120.5 kJ/mol ( -227.7720280 Hartree)
CONNECTIONS:
o TS38(373.9) o EQ4
o TS39(138.3) o EQ6
o TS40(152.4) o EQ6
o TS41(143.1) o EQ7
o TS42(492.6) o EQ11
o TS43(527.9) o EQ11
o TS44(410.0) o EQ18
o TS45(510.5) o EQ18
o TS46(538.1) o EQ25
o TS47(605.8) o EQ32
o TS48(936.6) o EQ38
o TS49(982.0) o EQ76
o TS50(902.2) o EQ84
o TS51(905.0) o EQ85
o TS52(898.8) o EQ87
o TS53(946.1) o EQ87
o TS54(920.3) o EQ88
o TS55(400.1) o DDC13
o TS56(487.1) o DDC14
o TS57(551.3) o DDC15
o TS58(603.4) o DDC16
o TS59(621.9) o DDC17
o UDC10 o
o UDC11 o
o UDC12 o
Cs ENERGY= 126.5 kJ/mol ( -227.7697507 Hartree)
CONNECTIONS:
o TS60(130.2) o EQ6
o TS61(151.0) o EQ7
o TS62(461.5) o EQ17
o TS63(554.0) o EQ29
o TS64(528.2) o EQ42
o TS65(513.7) o DDC18
o TS66(554.2) o DDC19
o TS67(640.8) o DDC20
o UDC13 o
o UDC14 o
C1 ENERGY= 128.7 kJ/mol ( -227.7689020 Hartree)
CONNECTIONS:
o TS25(666.4) o EQ2
o TS39(138.3) o EQ4
o TS40(152.4) o EQ4
o TS60(130.2) o EQ5
o TS68(142.5) o EQ6
o TS69(533.3) o EQ6
o TS70(505.9) o EQ12
o TS71(515.0) o EQ12
o TS72(531.4) o EQ17
o TS73(448.8) o EQ18
o TS74(571.9) o EQ19
o TS75(601.8) o EQ30
o TS76(602.6) o EQ30
o TS77(612.6) o EQ30
o TS78(629.5) o EQ32
o TS79(515.3) o DDC21
o TS80(535.1) o DDC22
o TS81(545.0) o DDC23
o TS82(562.3) o DDC24
o TS83(593.9) o DDC25
o TS84(594.4) o DDC26
o TS85(612.1) o DDC27
o TS86(621.2) o DDC28
o UDC15 o
o UDC16 o
Cs ENERGY= 141.0 kJ/mol ( -227.7641994 Hartree)
CONNECTIONS:
o TS41(143.1) o EQ4
o TS61(151.0) o EQ5
o TS87(461.1) o EQ7
o TS88(531.3) o EQ11
o TS89(574.8) o EQ11
o TS90(481.2) o EQ17
o TS91(557.4) o EQ28
o TS92(708.3) o EQ38
o TS93(576.6) o DDC29
o UDC17 o
o UDC18 o
o UDC19 o
o UDC20 o
Cs ENERGY= 142.9 kJ/mol ( -227.7634779 Hartree)
CONNECTIONS:
o TS4 (393.0) o EQ0
o TS94(354.6) o EQ8
o TS95(384.4) o EQ8
o TS96(163.4) o EQ9
o TS97(159.4) o EQ10
o TS98(582.7) o EQ26
o TS99(631.5) o EQ26
o TS100(649.7) o EQ27
o TS101(635.5) o EQ31
o TS102(458.9) o EQ45
o TS103(481.7) o EQ51
o TS104(406.5) o DDC30
o TS105(597.3) o DDC31
o TS106(627.9) o DDC32
o TS107(736.0) o DDC33
o UDC21 o
o UDC22 o
o UDC23 o
o UDC24 o
C2v ENERGY= 149.0 kJ/mol ( -227.7611643 Hartree)
CONNECTIONS:
o TS16(401.3) o EQ1
o TS96(163.4) o EQ8
o TS108(345.7) o EQ9
o TS109(481.0) o EQ45
o UDC25 o
o UDC26 o
C2 ENERGY= 156.5 kJ/mol ( -227.7583118 Hartree)
CONNECTIONS:
o TS97(159.4) o EQ8
o TS110(437.5) o EQ10
o TS111(589.2) o EQ25
o TS112(635.6) o EQ25
o TS113(607.8) o EQ27
o TS114(483.6) o EQ49
o TS115(593.2) o DDC34
o UDC27 o
C1 ENERGY= 179.6 kJ/mol ( -227.7494998 Hartree)
CONNECTIONS:
o TS42(492.6) o EQ4
o TS43(527.9) o EQ4
o TS88(531.3) o EQ7
o TS89(574.8) o EQ7
o TS116(181.3) o EQ11
o TS117(192.2) o EQ11
o TS118(399.5) o EQ11
o TS119(503.2) o EQ12
o TS120(532.9) o EQ12
o TS121(586.7) o EQ13
o TS122(202.9) o EQ16
o TS123(425.1) o EQ25
o TS124(467.7) o EQ27
o TS125(525.4) o EQ44
o TS126(544.2) o EQ46
o TS127(462.0) o DDC35
o TS128(605.8) o DDC36
o TS129(627.2) o DDC37
o TS130(628.5) o DDC38
o TS131(681.2) o DDC39
o UDC28 o
o UDC29 o
C1 ENERGY= 200.2 kJ/mol ( -227.7416601 Hartree)
CONNECTIONS:
o TS70(505.9) o EQ6
o TS71(515.0) o EQ6
o TS119(503.2) o EQ11
o TS120(532.9) o EQ11
o TS132(205.4) o EQ12
o TS133(206.5) o EQ13
o TS134(208.0) o EQ14
o TS135(204.3) o EQ15
o TS136(453.1) o EQ26
o TS137(512.2) o EQ33
o TS138(506.7) o EQ44
o TS139(516.7) o EQ47
o TS140(545.6) o EQ47
o TS141(594.7) o EQ58
o TS142(616.6) o EQ63
o TS143(601.3) o DDC40
o TS144(611.1) o DDC41
o TS145(621.2) o DDC42
o UDC30 o
Ci ENERGY= 201.5 kJ/mol ( -227.7411746 Hartree)
CONNECTIONS:
o TS121(586.7) o EQ11
o TS133(206.5) o EQ12
o TS146(202.6) o EQ14
o TS147(476.8) o EQ29
o TS148(545.7) o EQ46
o TS149(549.6) o EQ47
o TS150(580.1) o EQ55
o TS151(634.1) o DDC43
o TS152(684.5) o DDC44
o UDC31 o
C2 ENERGY= 201.6 kJ/mol ( -227.7411229 Hartree)
CONNECTIONS:
o TS134(208.0) o EQ12
o TS146(202.6) o EQ13
o TS153(832.4) o EQ14
o TS154(566.4) o EQ16
o TS155(530.1) o EQ48
o UDC32 o
C2h ENERGY= 202.0 kJ/mol ( -227.7409858 Hartree)
CONNECTIONS:
o TS135(204.3) o EQ12
o TS156(485.4) o EQ31
o TS157(613.7) o DDC45
Cs ENERGY= 202.1 kJ/mol ( -227.7409375 Hartree)
CONNECTIONS:
o TS122(202.9) o EQ11
o TS154(566.4) o EQ14
o TS158(454.6) o EQ28
o TS159(573.8) o EQ51
o UDC33 o
C1 ENERGY= 213.7 kJ/mol ( -227.7365322 Hartree)
CONNECTIONS:
o TS5 (528.9) o EQ0
o TS62(461.5) o EQ5
o TS72(531.4) o EQ6
o TS90(481.2) o EQ7
o TS160(462.7) o EQ17
o TS161(216.3) o EQ18
o TS162(225.7) o EQ19
o TS163(540.8) o EQ23
o TS164(536.5) o EQ26
o TS165(571.1) o EQ46
o TS166(584.1) o EQ48
o TS167(457.2) o DDC46
o TS168(551.0) o DDC47
o TS169(620.2) o DDC48
o TS170(637.8) o DDC49
o TS171(692.5) o DDC50
o TS172(750.4) o DDC51
o UDC34 o
o UDC35 o
C1 ENERGY= 214.2 kJ/mol ( -227.7363298 Hartree)
CONNECTIONS:
o TS44(410.0) o EQ4
o TS45(510.5) o EQ4
o TS73(448.8) o EQ6
o TS161(216.3) o EQ17
o TS173(449.2) o EQ18
o TS174(227.1) o EQ19
o TS175(548.6) o EQ21
o TS176(549.9) o EQ31
o TS177(567.9) o EQ34
o TS178(563.6) o EQ35
o TS179(562.6) o EQ44
o TS180(970.1) o EQ73
o TS181(443.2) o DDC52
o TS182(449.6) o DDC53
o TS183(496.4) o DDC54
o TS184(681.2) o DDC55
o TS185(752.3) o DDC56
o UDC36 o
C1 ENERGY= 225.5 kJ/mol ( -227.7320203 Hartree)
CONNECTIONS:
o TS74(571.9) o EQ6
o TS162(225.7) o EQ17
o TS174(227.1) o EQ18
o TS186(459.4) o DDC57
o TS187(518.7) o DDC58
o TS188(583.2) o DDC59
o TS189(626.1) o DDC60
o UDC37 o
Cs ENERGY= 232.0 kJ/mol ( -227.7295526 Hartree)
CONNECTIONS:
o TS17(505.5) o EQ1
o TS32(473.6) o EQ3
o TS190(232.7) o EQ20
o TS191(304.3) o EQ21
o TS192(302.0) o EQ23
o TS193(550.8) o EQ40
o TS194(676.5) o DDC61
o TS195(707.2) o DDC62
o TS196(708.7) o DDC63
o UDC38 o
o UDC39 o
Cs ENERGY= 236.4 kJ/mol ( -227.7278792 Hartree)
CONNECTIONS:
o TS6 (503.1) o EQ0
o TS175(548.6) o EQ18
o TS191(304.3) o EQ20
o TS197(236.7) o EQ21
o TS198(317.5) o EQ24
o TS199(448.7) o DDC64
o TS200(711.8) o DDC65
o TS201(714.4) o DDC66
o UDC40 o
o UDC41 o
Cs ENERGY= 236.7 kJ/mol ( -227.7277521 Hartree)
CONNECTIONS:
o TS7 (618.3) o EQ0
Cs ENERGY= 243.5 kJ/mol ( -227.7251755 Hartree)
CONNECTIONS:
o TS163(540.8) o EQ17
o TS192(302.0) o EQ20
o TS202(250.8) o EQ23
o TS203(325.7) o EQ24
o TS204(760.9) o EQ25
o TS205(539.8) o DDC67
o TS206(594.8) o DDC68
o TS207(723.7) o DDC69
o TS208(731.1) o DDC70
o UDC42 o
o UDC43 o
o UDC44 o
Cs ENERGY= 285.7 kJ/mol ( -227.7091155 Hartree)
CONNECTIONS:
o TS198(317.5) o EQ21
o TS203(325.7) o EQ23
o TS209(297.3) o EQ24
o TS210(552.5) o DDC71
o TS211(561.6) o DDC72
o TS212(715.5) o DDC73
o TS213(724.9) o DDC74
o TS214(770.1) o DDC75
o UDC45 o
C1 ENERGY= 326.8 kJ/mol ( -227.6934381 Hartree)
CONNECTIONS:
o TS46(538.1) o EQ4
o TS111(589.2) o EQ10
o TS112(635.6) o EQ10
o TS123(425.1) o EQ11
o TS204(760.9) o EQ23
o TS215(327.1) o EQ25
o TS216(998.4) o EQ25
o TS217(352.8) o EQ26
o TS218(354.1) o EQ26
o TS219(431.6) o EQ27
o TS220(340.5) o EQ28
o TS221(613.9) o EQ31
o TS222(845.9) o EQ47
o TS223(661.4) o DDC76
o TS224(667.9) o DDC77
o TS225(723.8) o DDC78
o TS226(731.0) o DDC79
o TS227(989.1) o DDC80
o TS228(1031.3) o DDC81
o UDC46 o
C1 ENERGY= 328.4 kJ/mol ( -227.6928365 Hartree)
CONNECTIONS:
o TS98(582.7) o EQ8
o TS99(631.5) o EQ8
o TS136(453.1) o EQ12
o TS164(536.5) o EQ17
o TS217(352.8) o EQ25
o TS218(354.1) o EQ25
o TS229(328.6) o EQ26
o TS230(614.7) o EQ27
o TS231(841.0) o EQ27
o TS232(342.6) o EQ29
o TS233(434.6) o EQ31
o TS234(674.8) o EQ55
o TS235(662.6) o DDC82
o TS236(700.9) o DDC83
o TS237(862.0) o DDC84
o TS238(1019.1) o DDC85
o UDC47 o
Cs ENERGY= 330.3 kJ/mol ( -227.6921296 Hartree)
CONNECTIONS:
o TS100(649.7) o EQ8
o TS113(607.8) o EQ10
o TS124(467.7) o EQ11
o TS219(431.6) o EQ25
o TS230(614.7) o EQ26
o TS231(841.0) o EQ26
o TS239(442.4) o EQ28
o TS240(620.8) o EQ29
o TS241(371.5) o EQ31
o TS242(491.0) o DDC86
o TS243(504.6) o DDC87
o TS244(744.6) o DDC88
o UDC48 o
o UDC49 o
Cs ENERGY= 337.4 kJ/mol ( -227.6894136 Hartree)
CONNECTIONS:
o TS91(557.4) o EQ7
o TS158(454.6) o EQ16
o TS220(340.5) o EQ25
o TS239(442.4) o EQ27
o TS245(629.1) o EQ33
o TS246(689.6) o DDC89
o UDC50 o
o UDC51 o
o UDC52 o
Cs ENERGY= 339.0 kJ/mol ( -227.6887997 Hartree)
CONNECTIONS:
o TS63(554.0) o EQ5
o TS147(476.8) o EQ13
o TS232(342.6) o EQ26
o TS240(620.8) o EQ27
o TS247(446.8) o EQ33
o TS248(701.7) o EQ55
o TS249(800.4) o DDC90
o UDC53 o
o UDC54 o
o UDC55 o
C1 ENERGY= 351.9 kJ/mol ( -227.6838770 Hartree)
CONNECTIONS:
o TS75(601.8) o EQ6
o TS76(602.6) o EQ6
o TS77(612.6) o EQ6
o TS250(360.9) o EQ30
o TS251(360.4) o EQ32
o TS252(369.5) o EQ32
o TS253(373.0) o EQ32
o TS254(375.4) o EQ32
o TS255(476.0) o EQ35
o TS256(879.9) o EQ78
o TS257(418.3) o DDC91
o TS258(609.7) o DDC92
o TS259(628.1) o DDC93
o TS260(793.3) o DDC94
o TS261(799.2) o DDC95
o TS262(830.8) o DDC96
o TS263(844.6) o DDC97
o TS264(889.5) o DDC98
o UDC56 o
o UDC57 o
C1 ENERGY= 356.1 kJ/mol ( -227.6823008 Hartree)
CONNECTIONS:
o TS101(635.5) o EQ8
o TS156(485.4) o EQ15
o TS176(549.9) o EQ18
o TS221(613.9) o EQ25
o TS233(434.6) o EQ26
o TS241(371.5) o EQ27
o TS265(373.8) o EQ33
o TS266(697.6) o EQ58
o TS267(611.3) o DDC99
o TS268(622.0) o DDC100
o TS269(670.7) o DDC101
o TS270(692.3) o DDC102
o TS271(698.8) o DDC103
o TS272(734.3) o DDC104
C1 ENERGY= 357.7 kJ/mol ( -227.6816834 Hartree)
CONNECTIONS:
o TS47(605.8) o EQ4
o TS78(629.5) o EQ6
o TS251(360.4) o EQ30
o TS252(369.5) o EQ30
o TS253(373.0) o EQ30
o TS254(375.4) o EQ30
o TS273(464.0) o EQ34
o TS274(469.4) o EQ34
o TS275(883.7) o EQ78
o TS276(886.9) o EQ78
o TS277(639.6) o DDC105
o TS278(797.9) o DDC106
o UDC58 o
o UDC59 o
o UDC60 o
Cs ENERGY= 371.3 kJ/mol ( -227.6765152 Hartree)
CONNECTIONS:
o TS137(512.2) o EQ12
o TS245(629.1) o EQ28
o TS247(446.8) o EQ29
o TS265(373.8) o EQ31
C1 ENERGY= 380.2 kJ/mol ( -227.6730969 Hartree)
CONNECTIONS:
o TS177(567.9) o EQ18
o TS273(464.0) o EQ32
o TS274(469.4) o EQ32
o TS279(386.7) o EQ35
o TS280(392.4) o EQ35
o TS281(393.9) o EQ35
o TS282(552.6) o DDC107
o TS283(613.3) o DDC108
o TS284(627.4) o DDC109
o TS285(629.6) o DDC110
o TS286(663.1) o DDC111
o TS287(815.3) o DDC112
o TS288(821.2) o DDC113
o TS289(854.1) o DDC114
o TS290(863.9) o DDC115
o UDC61 o
C1 ENERGY= 386.5 kJ/mol ( -227.6707237 Hartree)
CONNECTIONS:
o TS178(563.6) o EQ18
o TS255(476.0) o EQ30
o TS279(386.7) o EQ34
o TS280(392.4) o EQ34
o TS281(393.9) o EQ34
o TS291(817.4) o DDC116
o TS292(856.9) o DDC117
o TS293(875.5) o DDC118
o TS294(915.8) o DDC119
o UDC62 o
Cs ENERGY= 418.2 kJ/mol ( -227.6586251 Hartree)
CONNECTIONS:
o TS295(429.4) o EQ36
o TS296(593.8) o EQ52
o TS297(587.4) o EQ53
o TS298(820.6) o EQ59
o TS299(973.8) o EQ66
o TS300(917.0) o DDC120
o TS301(918.4) o DDC121
o TS302(922.7) o DDC122
o TS303(1023.1) o DDC123
o UDC63 o
o UDC64 o
o UDC65 o
Cs ENERGY= 420.2 kJ/mol ( -227.6578806 Hartree)
CONNECTIONS:
o TS304(439.4) o EQ37
o TS305(477.8) o EQ40
o UDC66 o
C1 ENERGY= 438.4 kJ/mol ( -227.6509491 Hartree)
CONNECTIONS:
o TS48(936.6) o EQ4
o TS92(708.3) o EQ7
o TS306(440.7) o EQ38
o TS307(470.8) o EQ38
o TS308(708.9) o EQ38
o TS309(776.6) o EQ38
o TS310(460.6) o EQ39
o TS311(459.4) o EQ41
o TS312(660.5) o EQ52
o TS313(736.5) o EQ59
o TS314(1005.5) o EQ69
o TS315(752.3) o EQ71
o TS316(753.6) o EQ73
o TS317(752.8) o EQ74
o TS318(771.5) o EQ76
o TS319(911.4) o EQ87
o TS320(842.5) o DDC124
o TS321(872.7) o DDC125
o TS322(928.5) o DDC126
o TS323(993.2) o DDC127
o TS324(1004.4) o DDC128
o TS325(1122.1) o DDC129
o UDC67 o
C1 ENERGY= 441.1 kJ/mol ( -227.6499313 Hartree)
CONNECTIONS:
o TS310(460.6) o EQ38
o TS326(442.3) o EQ41
o TS327(444.4) o EQ41
o TS328(474.8) o EQ41
o TS329(737.9) o EQ56
o TS330(775.3) o EQ64
o TS331(748.9) o EQ72
o TS332(760.0) o EQ75
o TS333(855.5) o EQ82
o TS334(846.6) o DDC130
o TS335(871.7) o DDC131
o UDC68 o
o UDC69 o
Cs ENERGY= 441.1 kJ/mol ( -227.6499027 Hartree)
CONNECTIONS:
o TS193(550.8) o EQ20
o TS305(477.8) o EQ37
o TS336(465.6) o EQ40
o UDC70 o
C1 ENERGY= 442.2 kJ/mol ( -227.6495108 Hartree)
CONNECTIONS:
o TS311(459.4) o EQ38
o TS326(442.3) o EQ39
o TS327(444.4) o EQ39
o TS328(474.8) o EQ39
o TS337(766.1) o EQ41
o TS338(770.6) o EQ41
o TS339(1040.6) o EQ41
o TS340(742.1) o EQ56
o TS341(785.4) o EQ67
o TS342(850.4) o EQ71
o TS343(898.7) o EQ71
o TS344(747.6) o EQ72
o TS345(919.9) o EQ73
o TS346(882.9) o EQ74
o TS347(759.5) o EQ75
o TS348(853.9) o DDC132
o TS349(869.9) o DDC133
o TS350(932.9) o DDC134
o UDC71 o
C1 ENERGY= 449.5 kJ/mol ( -227.6467330 Hartree)
CONNECTIONS:
o TS64(528.2) o EQ5
o TS351(462.0) o EQ42
o TS352(452.7) o DDC135
o TS353(453.5) o DDC136
o TS354(731.1) o DDC137
C1 ENERGY= 454.4 kJ/mol ( -227.6448610 Hartree)
CONNECTIONS:
o TS355(462.8) o EQ43
o TS356(454.5) o DDC138
o TS357(589.0) o DDC139
o TS358(738.1) o DDC140
C1 ENERGY= 456.1 kJ/mol ( -227.6441882 Hartree)
CONNECTIONS:
o TS125(525.4) o EQ11
o TS138(506.7) o EQ12
o TS179(562.6) o EQ18
o TS359(466.4) o EQ44
o TS360(457.8) o EQ45
o TS361(477.0) o EQ46
o TS362(482.0) o EQ46
o TS363(476.2) o EQ47
o TS364(613.9) o EQ47
o TS365(483.7) o EQ51
o TS366(688.7) o DDC141
o TS367(837.0) o DDC142
o UDC72 o
C1 ENERGY= 457.0 kJ/mol ( -227.6438681 Hartree)
CONNECTIONS:
o TS102(458.9) o EQ8
o TS109(481.0) o EQ9
o TS360(457.8) o EQ44
o TS368(469.0) o EQ46
o TS369(474.7) o EQ47
o TS370(470.5) o EQ48
o TS371(476.2) o EQ49
o TS372(482.5) o EQ51
o TS373(496.4) o EQ51
o UDC73 o
C1 ENERGY= 463.7 kJ/mol ( -227.6412985 Hartree)
CONNECTIONS:
o TS126(544.2) o EQ11
o TS148(545.7) o EQ13
o TS165(571.1) o EQ17
o TS361(477.0) o EQ44
o TS362(482.0) o EQ44
o TS368(469.0) o EQ45
o TS374(471.1) o EQ49
o TS375(707.6) o DDC143
o TS376(836.5) o DDC144
o UDC74 o
C1 ENERGY= 465.2 kJ/mol ( -227.6407524 Hartree)
CONNECTIONS:
o TS139(516.7) o EQ12
o TS140(545.6) o EQ12
o TS149(549.6) o EQ13
o TS222(845.9) o EQ25
o TS363(476.2) o EQ44
o TS364(613.9) o EQ44
o TS369(474.7) o EQ45
o TS377(483.5) o EQ47
o TS378(474.3) o EQ48
o TS379(489.1) o EQ48
o TS380(477.5) o EQ49
o TS381(487.6) o EQ51
o TS382(705.3) o DDC145
o TS383(711.5) o DDC146
o TS384(875.2) o DDC147
o UDC75 o
C1 ENERGY= 467.6 kJ/mol ( -227.6398025 Hartree)
CONNECTIONS:
o TS155(530.1) o EQ14
o TS166(584.1) o EQ17
o TS370(470.5) o EQ45
o TS378(474.3) o EQ47
o TS379(489.1) o EQ47
o TS385(474.6) o EQ48
o TS386(812.9) o DDC148
o TS387(997.3) o DDC149
o UDC76 o
C1 ENERGY= 469.2 kJ/mol ( -227.6392108 Hartree)
CONNECTIONS:
o TS114(483.6) o EQ10
o TS371(476.2) o EQ45
o TS374(471.1) o EQ46
o TS380(477.5) o EQ47
o TS388(483.2) o EQ51
o UDC77 o
C2v ENERGY= 471.3 kJ/mol ( -227.6384202 Hartree)
CONNECTIONS:
o TS389(834.8) o EQ52
o TS390(839.5) o EQ52
o TS391(913.5) o EQ66
o TS392(807.8) o EQ70
o TS393(849.7) o EQ70
o TS394(874.9) o EQ71
o TS395(944.5) o EQ87
o TS396(806.6) o DDC150
o TS397(922.4) o DDC151
o TS398(980.9) o DDC152
o UDC78 o
C1 ENERGY= 478.3 kJ/mol ( -227.6357597 Hartree)
CONNECTIONS:
o TS103(481.7) o EQ8
o TS159(573.8) o EQ16
o TS365(483.7) o EQ44
o TS372(482.5) o EQ45
o TS373(496.4) o EQ45
o TS381(487.6) o EQ47
o TS388(483.2) o EQ49
o TS399(497.9) o EQ51
o UDC79 o
o UDC80 o
Cs ENERGY= 515.5 kJ/mol ( -227.6215788 Hartree)
CONNECTIONS:
o TS296(593.8) o EQ36
o TS312(660.5) o EQ38
o TS389(834.8) o EQ50
o TS390(839.5) o EQ50
o TS400(519.4) o EQ52
o TS401(896.1) o EQ68
o TS402(1048.3) o EQ81
o TS403(939.3) o DDC153
o TS404(963.1) o DDC154
o UDC81 o
Cs ENERGY= 515.9 kJ/mol ( -227.6214403 Hartree)
CONNECTIONS:
o TS297(587.4) o EQ36
o TS405(520.6) o EQ53
o TS406(697.4) o EQ56
o TS407(915.1) o EQ64
o TS408(932.6) o EQ64
o TS409(1006.9) o EQ80
o TS410(1114.4) o EQ80
o TS411(1168.3) o EQ89
o TS412(620.4) o DDC155
o TS413(943.0) o DDC156
o TS414(1004.0) o DDC157
o TS415(1081.2) o DDC158
o TS416(1130.9) o DDC159
o UDC82 o
o UDC83 o
o UDC84 o
C2h ENERGY= 548.9 kJ/mol ( -227.6088373 Hartree)
CONNECTIONS:
o TS417(583.1) o DDC160
o TS418(690.2) o DDC161
C1 ENERGY= 555.2 kJ/mol ( -227.6064571 Hartree)
CONNECTIONS:
o TS150(580.1) o EQ13
o TS234(674.8) o EQ26
o TS248(701.7) o EQ29
o TS419(558.3) o EQ55
o TS420(604.5) o EQ58
o TS421(604.9) o EQ58
o TS422(589.2) o EQ60
o TS423(589.9) o EQ60
o TS424(561.5) o DDC162
o TS425(903.3) o DDC163
Cs ENERGY= 563.2 kJ/mol ( -227.6034103 Hartree)
CONNECTIONS:
o TS329(737.9) o EQ39
o TS340(742.1) o EQ41
o TS406(697.4) o EQ53
o TS426(567.1) o EQ56
o TS427(575.8) o EQ57
o TS428(703.0) o EQ59
o TS429(943.5) o DDC164
o TS430(961.8) o DDC165
o TS431(979.6) o DDC166
o TS432(979.7) o DDC167
o TS433(987.6) o DDC168
o UDC85 o
o UDC86 o
Cs ENERGY= 573.8 kJ/mol ( -227.5993643 Hartree)
CONNECTIONS:
o TS427(575.8) o EQ56
o TS434(578.3) o EQ57
o TS435(717.5) o EQ59
o TS436(692.5) o DDC169
o UDC87 o
o UDC88 o
C1 ENERGY= 575.1 kJ/mol ( -227.5988715 Hartree)
CONNECTIONS:
o TS141(594.7) o EQ12
o TS266(697.6) o EQ31
o TS420(604.5) o EQ55
o TS421(604.9) o EQ55
o TS437(578.4) o EQ58
o TS438(612.8) o EQ65
o TS439(613.1) o EQ65
o TS440(580.8) o DDC170
o TS441(932.9) o DDC171
o TS442(956.2) o DDC172
o TS443(960.3) o DDC173
Cs ENERGY= 577.8 kJ/mol ( -227.5978431 Hartree)
CONNECTIONS:
o TS8 (805.3) o EQ0
o TS9 (824.1) o EQ0
o TS18(614.3) o EQ1
o TS298(820.6) o EQ36
o TS313(736.5) o EQ38
o TS428(703.0) o EQ56
o TS435(717.5) o EQ57
o TS444(582.7) o EQ59
o TS445(614.5) o EQ59
o TS446(802.6) o EQ77
o TS447(828.6) o EQ79
o TS448(939.1) o DDC174
o TS449(967.8) o DDC175
o TS450(1068.2) o DDC176
o UDC89 o
Cs ENERGY= 587.6 kJ/mol ( -227.5941136 Hartree)
CONNECTIONS:
o TS422(589.2) o EQ55
o TS423(589.9) o EQ55
Cs ENERGY= 588.5 kJ/mol ( -227.5937662 Hartree)
CONNECTIONS:
o TS451(589.3) o EQ61
o TS452(588.9) o DDC177
o TS453(659.9) o DDC178
o UDC90 o
o UDC91 o
Cs ENERGY= 590.3 kJ/mol ( -227.5930888 Hartree)
CONNECTIONS:
o TS454(601.4) o EQ62
o TS455(596.5) o DDC179
o TS456(668.3) o DDC180
o TS457(675.5) o DDC181
C1 ENERGY= 604.8 kJ/mol ( -227.5875656 Hartree)
CONNECTIONS:
o TS142(616.6) o EQ12
o TS458(605.3) o EQ63
o TS459(609.0) o EQ63
o TS460(624.7) o DDC182
o TS461(701.2) o DDC183
o TS462(935.0) o DDC184
C1 ENERGY= 610.6 kJ/mol ( -227.5853611 Hartree)
CONNECTIONS:
o TS330(775.3) o EQ39
o TS407(915.1) o EQ53
o TS408(932.6) o EQ53
o TS463(628.2) o EQ64
o TS464(935.5) o EQ64
o TS465(615.7) o EQ67
o TS466(623.4) o EQ69
o TS467(944.5) o EQ79
o TS468(914.2) o EQ83
o TS469(923.3) o EQ83
o TS470(925.3) o EQ86
o TS471(929.5) o EQ86
o TS472(832.1) o DDC185
o UDC92 o
o UDC93 o
Cs ENERGY= 611.8 kJ/mol ( -227.5848821 Hartree)
CONNECTIONS:
o TS438(612.8) o EQ58
o TS439(613.1) o EQ58
o TS473(953.6) o DDC186
Cs ENERGY= 611.9 kJ/mol ( -227.5848507 Hartree)
CONNECTIONS:
o TS26(692.7) o EQ2
o TS299(973.8) o EQ36
o TS391(913.5) o EQ50
o TS474(622.6) o EQ66
o TS475(1037.9) o EQ66
o TS476(1082.6) o EQ66
o TS477(764.9) o EQ68
o TS478(777.6) o EQ68
o TS479(847.1) o EQ80
o TS480(908.5) o EQ80
o TS481(1006.9) o EQ80
o TS482(884.9) o EQ81
o TS483(1163.8) o EQ89
o TS484(1042.0) o DDC187
o TS485(1058.2) o DDC188
C1 ENERGY= 614.0 kJ/mol ( -227.5840651 Hartree)
CONNECTIONS:
o TS341(785.4) o EQ41
o TS465(615.7) o EQ64
o TS486(621.4) o EQ69
o TS487(1046.8) o EQ84
o TS488(958.6) o EQ88
o TS489(690.1) o DDC189
o UDC94 o
o UDC95 o
Cs ENERGY= 615.1 kJ/mol ( -227.5836230 Hartree)
CONNECTIONS:
o TS401(896.1) o EQ52
o TS477(764.9) o EQ66
o TS478(777.6) o EQ66
o TS490(627.3) o EQ68
o TS491(1198.5) o EQ68
o TS492(1024.1) o EQ81
o TS493(694.2) o DDC190
o TS494(747.9) o DDC191
o TS495(1049.7) o DDC192
o TS496(1060.5) o DDC193
o UDC96 o
o UDC97 o
C1 ENERGY= 616.7 kJ/mol ( -227.5830274 Hartree)
CONNECTIONS:
o TS314(1005.5) o EQ38
o TS466(623.4) o EQ64
o TS486(621.4) o EQ67
o TS497(632.8) o EQ69
o TS498(1003.7) o EQ69
o TS499(944.9) o EQ71
o TS500(888.0) o EQ73
o TS501(895.9) o EQ74
o TS502(890.1) o EQ77
o TS503(894.7) o EQ77
o TS504(934.6) o EQ84
o TS505(939.2) o EQ84
o TS506(805.5) o DDC194
o UDC98 o
o UDC99 o
o UDC100 o
o UDC101 o
Cs ENERGY= 643.8 kJ/mol ( -227.5726993 Hartree)
CONNECTIONS:
o TS392(807.8) o EQ50
o TS393(849.7) o EQ50
o TS507(713.9) o EQ70
o TS508(1166.2) o EQ70
o TS509(1018.0) o EQ80
o TS510(1119.8) o EQ80
o TS511(1017.9) o EQ81
o TS512(815.6) o DDC195
o TS513(1148.2) o DDC196
o UDC102 o
o UDC103 o
o UDC104 o
C1 ENERGY= 718.8 kJ/mol ( -227.5441457 Hartree)
CONNECTIONS:
o TS315(752.3) o EQ38
o TS342(850.4) o EQ41
o TS343(898.7) o EQ41
o TS394(874.9) o EQ50
o TS499(944.9) o EQ69
o TS514(769.8) o EQ74
o TS515(853.7) o EQ74
o TS516(737.2) o EQ75
o TS517(732.5) o EQ76
o TS518(754.3) o EQ76
o TS519(985.3) o DDC197
o TS520(1016.7) o DDC198
o UDC105 o
C1 ENERGY= 721.8 kJ/mol ( -227.5429825 Hartree)
CONNECTIONS:
o TS331(748.9) o EQ39
o TS344(747.6) o EQ41
o TS521(722.9) o EQ72
o TS522(755.8) o EQ72
o TS523(732.8) o EQ73
o TS524(734.4) o EQ74
o TS525(778.2) o EQ75
o TS526(780.7) o EQ75
o TS527(988.3) o DDC199
o TS528(990.0) o DDC200
o UDC106 o
C1 ENERGY= 722.7 kJ/mol ( -227.5426561 Hartree)
CONNECTIONS:
o TS180(970.1) o EQ18
o TS316(753.6) o EQ38
o TS345(919.9) o EQ41
o TS500(888.0) o EQ69
o TS523(732.8) o EQ72
o TS529(723.9) o EQ74
o TS530(744.6) o EQ74
o TS531(773.9) o EQ76
o TS532(778.4) o EQ76
o TS533(916.2) o DDC201
o TS534(989.4) o DDC202
o UDC107 o
C1 ENERGY= 723.5 kJ/mol ( -227.5423603 Hartree)
CONNECTIONS:
o TS317(752.8) o EQ38
o TS346(882.9) o EQ41
o TS501(895.9) o EQ69
o TS514(769.8) o EQ71
o TS515(853.7) o EQ71
o TS524(734.4) o EQ72
o TS529(723.9) o EQ73
o TS530(744.6) o EQ73
o TS535(896.2) o DDC203
o TS536(991.1) o DDC204
o TS537(992.4) o DDC205
C1 ENERGY= 727.0 kJ/mol ( -227.5410151 Hartree)
CONNECTIONS:
o TS332(760.0) o EQ39
o TS347(759.5) o EQ41
o TS516(737.2) o EQ71
o TS525(778.2) o EQ72
o TS526(780.7) o EQ72
o TS538(727.3) o EQ75
o TS539(765.3) o EQ75
o TS540(740.5) o EQ76
o TS541(987.4) o EQ83
o UDC108 o
o UDC109 o
C1 ENERGY= 732.2 kJ/mol ( -227.5390497 Hartree)
CONNECTIONS:
o TS49(982.0) o EQ4
o TS318(771.5) o EQ38
o TS517(732.5) o EQ71
o TS518(754.3) o EQ71
o TS531(773.9) o EQ73
o TS532(778.4) o EQ73
o TS540(740.5) o EQ75
o TS542(993.9) o EQ88
o UDC110 o
o UDC111 o
Cs ENERGY= 767.0 kJ/mol ( -227.5257793 Hartree)
CONNECTIONS:
o TS446(802.6) o EQ59
o TS502(890.1) o EQ69
o TS503(894.7) o EQ69
o TS543(769.4) o EQ77
o TS544(865.5) o EQ79
o TS545(870.8) o EQ79
o TS546(932.1) o DDC206
o TS547(1111.4) o DDC207
o TS548(1147.0) o DDC208
o UDC112 o
C1 ENERGY= 786.0 kJ/mol ( -227.5185301 Hartree)
CONNECTIONS:
o TS256(879.9) o EQ30
o TS275(883.7) o EQ32
o TS276(886.9) o EQ32
o TS549(818.3) o EQ78
o TS550(787.5) o DDC209
o TS551(819.4) o DDC210
o TS552(905.6) o DDC211
Cs ENERGY= 801.2 kJ/mol ( -227.5127749 Hartree)
CONNECTIONS:
o TS19(846.0) o EQ1
o TS447(828.6) o EQ59
o TS467(944.5) o EQ64
o TS544(865.5) o EQ77
o TS545(870.8) o EQ77
o TS553(806.0) o EQ79
o TS554(1314.4) o EQ83
o TS555(1075.7) o DDC212
o UDC113 o
Cs ENERGY= 805.9 kJ/mol ( -227.5109811 Hartree)
CONNECTIONS:
o TS409(1006.9) o EQ53
o TS410(1114.4) o EQ53
o TS479(847.1) o EQ66
o TS480(908.5) o EQ66
o TS481(1006.9) o EQ66
o TS509(1018.0) o EQ70
o TS510(1119.8) o EQ70
o TS556(812.0) o EQ80
o TS557(928.0) o EQ81
o TS558(1084.1) o DDC213
o TS559(1298.2) o DDC214
o TS560(1311.6) o DDC215
o UDC114 o
o UDC115 o
o UDC116 o
Cs ENERGY= 845.7 kJ/mol ( -227.4958108 Hartree)
CONNECTIONS:
o TS33(904.1) o EQ3
o TS402(1048.3) o EQ52
o TS482(884.9) o EQ66
o TS492(1024.1) o EQ68
o TS511(1017.9) o EQ70
o TS557(928.0) o EQ80
o TS561(850.7) o EQ81
o TS562(1077.4) o DDC216
o TS563(1254.8) o DDC217
o TS564(1317.5) o DDC218
o TS565(1354.2) o DDC219
o UDC117 o
o UDC118 o
o UDC119 o
C1 ENERGY= 852.7 kJ/mol ( -227.4931494 Hartree)
CONNECTIONS:
o TS333(855.5) o EQ39
o TS566(857.5) o EQ82
o TS567(912.7) o DDC220
o UDC120 o
o UDC121 o
C1 ENERGY= 874.5 kJ/mol ( -227.4848281 Hartree)
CONNECTIONS:
o TS468(914.2) o EQ64
o TS469(923.3) o EQ64
o TS541(987.4) o EQ75
o TS554(1314.4) o EQ79
o TS568(898.4) o EQ83
o TS569(929.9) o EQ85
o TS570(1003.3) o EQ85
o TS571(933.9) o EQ86
o TS572(948.2) o EQ86
o TS573(999.9) o EQ86
o TS574(903.7) o EQ87
o TS575(898.1) o EQ88
o TS576(927.2) o EQ88
o TS577(991.4) o DDC221
o TS578(1030.4) o DDC222
o TS579(1171.2) o DDC223
o UDC122 o
o UDC123 o
C1 ENERGY= 878.4 kJ/mol ( -227.4833480 Hartree)
CONNECTIONS:
o TS50(902.2) o EQ4
o TS487(1046.8) o EQ67
o TS504(934.6) o EQ69
o TS505(939.2) o EQ69
o TS580(895.2) o EQ85
o TS581(908.4) o EQ85
o TS582(891.6) o EQ86
o TS583(936.2) o EQ88
o TS584(999.4) o DDC224
o UDC124 o
C1 ENERGY= 882.7 kJ/mol ( -227.4817203 Hartree)
CONNECTIONS:
o TS51(905.0) o EQ4
o TS569(929.9) o EQ83
o TS570(1003.3) o EQ83
o TS580(895.2) o EQ84
o TS581(908.4) o EQ84
o TS585(895.9) o EQ86
o UDC125 o
C1 ENERGY= 886.8 kJ/mol ( -227.4801487 Hartree)
CONNECTIONS:
o TS470(925.3) o EQ64
o TS471(929.5) o EQ64
o TS571(933.9) o EQ83
o TS572(948.2) o EQ83
o TS573(999.9) o EQ83
o TS582(891.6) o EQ84
o TS585(895.9) o EQ85
o TS586(915.2) o EQ86
o TS587(1187.8) o DDC225
o UDC126 o
C1 ENERGY= 891.8 kJ/mol ( -227.4782381 Hartree)
CONNECTIONS:
o TS52(898.8) o EQ4
o TS53(946.1) o EQ4
o TS319(911.4) o EQ38
o TS395(944.5) o EQ50
o TS574(903.7) o EQ83
C1 ENERGY= 894.6 kJ/mol ( -227.4771725 Hartree)
CONNECTIONS:
o TS54(920.3) o EQ4
o TS488(958.6) o EQ67
o TS542(993.9) o EQ76
o TS575(898.1) o EQ83
o TS576(927.2) o EQ83
o TS583(936.2) o EQ84
o UDC127 o
Cs ENERGY= 1161.8 kJ/mol ( -227.3754021 Hartree)
CONNECTIONS:
o TS411(1168.3) o EQ53
o TS483(1163.8) o EQ66
o TS588(1163.5) o EQ89
o TS589(1203.9) o DDC226
o TS590(1204.0) o DDC227
o UDC128 o
[ TS0 ]
Cs ENERGY= 2.4 kJ/mol
CONNECTIONS:
o EQ0 o EQ0
[ TS1 ]
Cs ENERGY= 206.0 kJ/mol
CONNECTIONS:
o EQ0 o EQ0
[ TS2 ]
C1 ENERGY= 512.9 kJ/mol
CONNECTIONS:
o EQ0 o EQ0
[ TS3 ]
C1 ENERGY= 57.2 kJ/mol
CONNECTIONS:
o EQ0 o EQ1
[ TS4 ]
C1 ENERGY= 393.0 kJ/mol
CONNECTIONS:
o EQ0 o EQ8
[ TS5 ]
C1 ENERGY= 528.9 kJ/mol
CONNECTIONS:
o EQ0 o EQ17
[ TS6 ]
C1 ENERGY= 503.1 kJ/mol
CONNECTIONS:
o EQ0 o EQ21
[ TS7 ]
Cs ENERGY= 618.3 kJ/mol
CONNECTIONS:
o EQ0 o EQ22
[ TS8 ]
C1 ENERGY= 805.3 kJ/mol
CONNECTIONS:
o EQ0 o EQ59
[ TS9 ]
C1 ENERGY= 824.1 kJ/mol
CONNECTIONS:
o EQ0 o EQ59
[ TS10 ]
Cs ENERGY= 416.7 kJ/mol
CONNECTIONS:
o EQ0 o DDC0
[ TS11 ]
C1 ENERGY= 494.7 kJ/mol
CONNECTIONS:
o EQ0 o DDC1
[ TS12 ]
C1 ENERGY= 505.5 kJ/mol
CONNECTIONS:
o EQ0 o DDC2
[ TS13 ]
C1 ENERGY= 549.7 kJ/mol
CONNECTIONS:
o EQ0 o DDC3
[ TS14 ]
Cs ENERGY= 33.1 kJ/mol
CONNECTIONS:
o EQ1 o EQ1
[ TS15 ]
C1 ENERGY= 535.7 kJ/mol
CONNECTIONS:
o EQ1 o EQ1
[ TS16 ]
C1 ENERGY= 401.3 kJ/mol
CONNECTIONS:
o EQ1 o EQ9
[ TS17 ]
C1 ENERGY= 505.5 kJ/mol
CONNECTIONS:
o EQ1 o EQ20
[ TS18 ]
Cs ENERGY= 614.3 kJ/mol
CONNECTIONS:
o EQ1 o EQ59
[ TS19 ]
Cs ENERGY= 846.0 kJ/mol
CONNECTIONS:
o EQ1 o EQ79
[ TS20 ]
C1 ENERGY= 525.5 kJ/mol
CONNECTIONS:
o EQ1 o DDC4
[ TS21 ]
Cs ENERGY= 62.5 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS22 ]
Cs ENERGY= 344.3 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS23 ]
Cs ENERGY= 416.8 kJ/mol
CONNECTIONS:
o EQ2 o EQ2
[ TS24 ]
C1 ENERGY= 110.3 kJ/mol
CONNECTIONS:
o EQ2 o EQ3
[ TS25 ]
C1 ENERGY= 666.4 kJ/mol
CONNECTIONS:
o EQ2 o EQ6
[ TS26 ]
Cs ENERGY= 692.7 kJ/mol
CONNECTIONS:
o EQ2 o EQ66
[ TS27 ]
Cs ENERGY= 443.7 kJ/mol
CONNECTIONS:
o EQ2 o DDC5
[ TS28 ]
C1 ENERGY= 492.0 kJ/mol
CONNECTIONS:
o EQ2 o DDC6
[ TS29 ]
C1 ENERGY= 534.9 kJ/mol
CONNECTIONS:
o EQ2 o DDC7
[ TS30 ]
C1 ENERGY= 535.3 kJ/mol
CONNECTIONS:
o EQ2 o DDC8
[ TS31 ]
Cs ENERGY= 84.2 kJ/mol
CONNECTIONS:
o EQ3 o EQ3
[ TS32 ]
Cs ENERGY= 473.6 kJ/mol
CONNECTIONS:
o EQ3 o EQ20
[ TS33 ]
C1 ENERGY= 904.1 kJ/mol
CONNECTIONS:
o EQ3 o EQ81
[ TS34 ]
C1 ENERGY= 501.9 kJ/mol
CONNECTIONS:
o EQ3 o DDC9
[ TS35 ]
C1 ENERGY= 521.7 kJ/mol
CONNECTIONS:
o EQ3 o DDC10
[ TS36 ]
C1 ENERGY= 533.8 kJ/mol
CONNECTIONS:
o EQ3 o DDC11
[ TS37 ]
C1 ENERGY= 553.8 kJ/mol
CONNECTIONS:
o EQ3 o DDC12
[ TS38 ]
C1 ENERGY= 373.9 kJ/mol
CONNECTIONS:
o EQ4 o EQ4
[ TS39 ]
C1 ENERGY= 138.3 kJ/mol
CONNECTIONS:
o EQ4 o EQ6
[ TS40 ]
C1 ENERGY= 152.4 kJ/mol
CONNECTIONS:
o EQ4 o EQ6
[ TS41 ]
C1 ENERGY= 143.1 kJ/mol
CONNECTIONS:
o EQ4 o EQ7
[ TS42 ]
C1 ENERGY= 492.6 kJ/mol
CONNECTIONS:
o EQ4 o EQ11
[ TS43 ]
C1 ENERGY= 527.9 kJ/mol
CONNECTIONS:
o EQ4 o EQ11
[ TS44 ]
C1 ENERGY= 410.0 kJ/mol
CONNECTIONS:
o EQ4 o EQ18
[ TS45 ]
C1 ENERGY= 510.5 kJ/mol
CONNECTIONS:
o EQ4 o EQ18
[ TS46 ]
Cs ENERGY= 538.1 kJ/mol
CONNECTIONS:
o EQ4 o EQ25
[ TS47 ]
C1 ENERGY= 605.8 kJ/mol
CONNECTIONS:
o EQ4 o EQ32
[ TS48 ]
C1 ENERGY= 936.6 kJ/mol
CONNECTIONS:
o EQ4 o EQ38
[ TS49 ]
C1 ENERGY= 982.0 kJ/mol
CONNECTIONS:
o EQ4 o EQ76
[ TS50 ]
C1 ENERGY= 902.2 kJ/mol
CONNECTIONS:
o EQ4 o EQ84
[ TS51 ]
C1 ENERGY= 905.0 kJ/mol
CONNECTIONS:
o EQ4 o EQ85
[ TS52 ]
C1 ENERGY= 898.8 kJ/mol
CONNECTIONS:
o EQ4 o EQ87
[ TS53 ]
C1 ENERGY= 946.1 kJ/mol
CONNECTIONS:
o EQ4 o EQ87
[ TS54 ]
C1 ENERGY= 920.3 kJ/mol
CONNECTIONS:
o EQ4 o EQ88
[ TS55 ]
Cs ENERGY= 400.1 kJ/mol
CONNECTIONS:
o EQ4 o DDC13
[ TS56 ]
C1 ENERGY= 487.1 kJ/mol
CONNECTIONS:
o EQ4 o DDC14
[ TS57 ]
C1 ENERGY= 551.3 kJ/mol
CONNECTIONS:
o EQ4 o DDC15
[ TS58 ]
C1 ENERGY= 603.4 kJ/mol
CONNECTIONS:
o EQ4 o DDC16
[ TS59 ]
Cs ENERGY= 621.9 kJ/mol
CONNECTIONS:
o EQ4 o DDC17
[ TS60 ]
C1 ENERGY= 130.2 kJ/mol
CONNECTIONS:
o EQ5 o EQ6
[ TS61 ]
C1 ENERGY= 151.0 kJ/mol
CONNECTIONS:
o EQ5 o EQ7
[ TS62 ]
C1 ENERGY= 461.5 kJ/mol
CONNECTIONS:
o EQ5 o EQ17
[ TS63 ]
Cs ENERGY= 554.0 kJ/mol
CONNECTIONS:
o EQ5 o EQ29
[ TS64 ]
C1 ENERGY= 528.2 kJ/mol
CONNECTIONS:
o EQ5 o EQ42
[ TS65 ]
C1 ENERGY= 513.7 kJ/mol
CONNECTIONS:
o EQ5 o DDC18
[ TS66 ]
C1 ENERGY= 554.2 kJ/mol
CONNECTIONS:
o EQ5 o DDC19
[ TS67 ]
C1 ENERGY= 640.8 kJ/mol
CONNECTIONS:
o EQ5 o DDC20
[ TS68 ]
Cs ENERGY= 142.5 kJ/mol
CONNECTIONS:
o EQ6 o EQ6
[ TS69 ]
Cs ENERGY= 533.3 kJ/mol
CONNECTIONS:
o EQ6 o EQ6
[ TS70 ]
C1 ENERGY= 505.9 kJ/mol
CONNECTIONS:
o EQ6 o EQ12
[ TS71 ]
C1 ENERGY= 515.0 kJ/mol
CONNECTIONS:
o EQ6 o EQ12
[ TS72 ]
C1 ENERGY= 531.4 kJ/mol
CONNECTIONS:
o EQ6 o EQ17
[ TS73 ]
C1 ENERGY= 448.8 kJ/mol
CONNECTIONS:
o EQ6 o EQ18
[ TS74 ]
C1 ENERGY= 571.9 kJ/mol
CONNECTIONS:
o EQ6 o EQ19
[ TS75 ]
C1 ENERGY= 601.8 kJ/mol
CONNECTIONS:
o EQ6 o EQ30
[ TS76 ]
C1 ENERGY= 602.6 kJ/mol
CONNECTIONS:
o EQ6 o EQ30
[ TS77 ]
C1 ENERGY= 612.6 kJ/mol
CONNECTIONS:
o EQ6 o EQ30
[ TS78 ]
C1 ENERGY= 629.5 kJ/mol
CONNECTIONS:
o EQ6 o EQ32
[ TS79 ]
C1 ENERGY= 515.3 kJ/mol
CONNECTIONS:
o EQ6 o DDC21
[ TS80 ]
C1 ENERGY= 535.1 kJ/mol
CONNECTIONS:
o EQ6 o DDC22
[ TS81 ]
C1 ENERGY= 545.0 kJ/mol
CONNECTIONS:
o EQ6 o DDC23
[ TS82 ]
C1 ENERGY= 562.3 kJ/mol
CONNECTIONS:
o EQ6 o DDC24
[ TS83 ]
C1 ENERGY= 593.9 kJ/mol
CONNECTIONS:
o EQ6 o DDC25
[ TS84 ]
C1 ENERGY= 594.4 kJ/mol
CONNECTIONS:
o EQ6 o DDC26
[ TS85 ]
C1 ENERGY= 612.1 kJ/mol
CONNECTIONS:
o EQ6 o DDC27
[ TS86 ]
C1 ENERGY= 621.2 kJ/mol
CONNECTIONS:
o EQ6 o DDC28
[ TS87 ]
Cs ENERGY= 461.1 kJ/mol
CONNECTIONS:
o EQ7 o EQ7
[ TS88 ]
C1 ENERGY= 531.3 kJ/mol
CONNECTIONS:
o EQ7 o EQ11
[ TS89 ]
C1 ENERGY= 574.8 kJ/mol
CONNECTIONS:
o EQ7 o EQ11
[ TS90 ]
C1 ENERGY= 481.2 kJ/mol
CONNECTIONS:
o EQ7 o EQ17
[ TS91 ]
Cs ENERGY= 557.4 kJ/mol
CONNECTIONS:
o EQ7 o EQ28
[ TS92 ]
C1 ENERGY= 708.3 kJ/mol
CONNECTIONS:
o EQ7 o EQ38
[ TS93 ]
Cs ENERGY= 576.6 kJ/mol
CONNECTIONS:
o EQ7 o DDC29
[ TS94 ]
Cs ENERGY= 354.6 kJ/mol
CONNECTIONS:
o EQ8 o EQ8
[ TS95 ]
Cs ENERGY= 384.4 kJ/mol
CONNECTIONS:
o EQ8 o EQ8
[ TS96 ]
C1 ENERGY= 163.4 kJ/mol
CONNECTIONS:
o EQ8 o EQ9
[ TS97 ]
C1 ENERGY= 159.4 kJ/mol
CONNECTIONS:
o EQ8 o EQ10
[ TS98 ]
C1 ENERGY= 582.7 kJ/mol
CONNECTIONS:
o EQ8 o EQ26
[ TS99 ]
C1 ENERGY= 631.5 kJ/mol
CONNECTIONS:
o EQ8 o EQ26
[ TS100 ]
C1 ENERGY= 649.7 kJ/mol
CONNECTIONS:
o EQ8 o EQ27
[ TS101 ]
C1 ENERGY= 635.5 kJ/mol
CONNECTIONS:
o EQ8 o EQ31
[ TS102 ]
C1 ENERGY= 458.9 kJ/mol
CONNECTIONS:
o EQ8 o EQ45
[ TS103 ]
C1 ENERGY= 481.7 kJ/mol
CONNECTIONS:
o EQ8 o EQ51
[ TS104 ]
C1 ENERGY= 406.5 kJ/mol
CONNECTIONS:
o EQ8 o DDC30
[ TS105 ]
C1 ENERGY= 597.3 kJ/mol
CONNECTIONS:
o EQ8 o DDC31
[ TS106 ]
Cs ENERGY= 627.9 kJ/mol
CONNECTIONS:
o EQ8 o DDC32
[ TS107 ]
C1 ENERGY= 736.0 kJ/mol
CONNECTIONS:
o EQ8 o DDC33
[ TS108 ]
Cs ENERGY= 345.7 kJ/mol
CONNECTIONS:
o EQ9 o EQ9
[ TS109 ]
C1 ENERGY= 481.0 kJ/mol
CONNECTIONS:
o EQ9 o EQ45
[ TS110 ]
Cs ENERGY= 437.5 kJ/mol
CONNECTIONS:
o EQ10 o EQ10
[ TS111 ]
C1 ENERGY= 589.2 kJ/mol
CONNECTIONS:
o EQ10 o EQ25
[ TS112 ]
C1 ENERGY= 635.6 kJ/mol
CONNECTIONS:
o EQ10 o EQ25
[ TS113 ]
C1 ENERGY= 607.8 kJ/mol
CONNECTIONS:
o EQ10 o EQ27
[ TS114 ]
C1 ENERGY= 483.6 kJ/mol
CONNECTIONS:
o EQ10 o EQ49
[ TS115 ]
C1 ENERGY= 593.2 kJ/mol
CONNECTIONS:
o EQ10 o DDC34
[ TS116 ]
Cs ENERGY= 181.3 kJ/mol
CONNECTIONS:
o EQ11 o EQ11
[ TS117 ]
C2 ENERGY= 192.2 kJ/mol
CONNECTIONS:
o EQ11 o EQ11
[ TS118 ]
Cs ENERGY= 399.5 kJ/mol
CONNECTIONS:
o EQ11 o EQ11
[ TS119 ]
C1 ENERGY= 503.2 kJ/mol
CONNECTIONS:
o EQ11 o EQ12
[ TS120 ]
C1 ENERGY= 532.9 kJ/mol
CONNECTIONS:
o EQ11 o EQ12
[ TS121 ]
C1 ENERGY= 586.7 kJ/mol
CONNECTIONS:
o EQ11 o EQ13
[ TS122 ]
C1 ENERGY= 202.9 kJ/mol
CONNECTIONS:
o EQ11 o EQ16
[ TS123 ]
C1 ENERGY= 425.1 kJ/mol
CONNECTIONS:
o EQ11 o EQ25
[ TS124 ]
C1 ENERGY= 467.7 kJ/mol
CONNECTIONS:
o EQ11 o EQ27
[ TS125 ]
C1 ENERGY= 525.4 kJ/mol
CONNECTIONS:
o EQ11 o EQ44
[ TS126 ]
C1 ENERGY= 544.2 kJ/mol
CONNECTIONS:
o EQ11 o EQ46
[ TS127 ]
C1 ENERGY= 462.0 kJ/mol
CONNECTIONS:
o EQ11 o DDC35
[ TS128 ]
C1 ENERGY= 605.8 kJ/mol
CONNECTIONS:
o EQ11 o DDC36
[ TS129 ]
C1 ENERGY= 627.2 kJ/mol
CONNECTIONS:
o EQ11 o DDC37
[ TS130 ]
C1 ENERGY= 628.5 kJ/mol
CONNECTIONS:
o EQ11 o DDC38
[ TS131 ]
Cs ENERGY= 681.2 kJ/mol
CONNECTIONS:
o EQ11 o DDC39
[ TS132 ]
Cs ENERGY= 205.4 kJ/mol
CONNECTIONS:
o EQ12 o EQ12
[ TS133 ]
C1 ENERGY= 206.5 kJ/mol
CONNECTIONS:
o EQ12 o EQ13
[ TS134 ]
C1 ENERGY= 208.0 kJ/mol
CONNECTIONS:
o EQ12 o EQ14
[ TS135 ]
C1 ENERGY= 204.3 kJ/mol
CONNECTIONS:
o EQ12 o EQ15
[ TS136 ]
C1 ENERGY= 453.1 kJ/mol
CONNECTIONS:
o EQ12 o EQ26
[ TS137 ]
C1 ENERGY= 512.2 kJ/mol
CONNECTIONS:
o EQ12 o EQ33
[ TS138 ]
C1 ENERGY= 506.7 kJ/mol
CONNECTIONS:
o EQ12 o EQ44
[ TS139 ]
C1 ENERGY= 516.7 kJ/mol
CONNECTIONS:
o EQ12 o EQ47
[ TS140 ]
C1 ENERGY= 545.6 kJ/mol
CONNECTIONS:
o EQ12 o EQ47
[ TS141 ]
C1 ENERGY= 594.7 kJ/mol
CONNECTIONS:
o EQ12 o EQ58
[ TS142 ]
C1 ENERGY= 616.6 kJ/mol
CONNECTIONS:
o EQ12 o EQ63
[ TS143 ]
C1 ENERGY= 601.3 kJ/mol
CONNECTIONS:
o EQ12 o DDC40
[ TS144 ]
C1 ENERGY= 611.1 kJ/mol
CONNECTIONS:
o EQ12 o DDC41
[ TS145 ]
C1 ENERGY= 621.2 kJ/mol
CONNECTIONS:
o EQ12 o DDC42
[ TS146 ]
C1 ENERGY= 202.6 kJ/mol
CONNECTIONS:
o EQ13 o EQ14
[ TS147 ]
C1 ENERGY= 476.8 kJ/mol
CONNECTIONS:
o EQ13 o EQ29
[ TS148 ]
C1 ENERGY= 545.7 kJ/mol
CONNECTIONS:
o EQ13 o EQ46
[ TS149 ]
C1 ENERGY= 549.6 kJ/mol
CONNECTIONS:
o EQ13 o EQ47
[ TS150 ]
C1 ENERGY= 580.1 kJ/mol
CONNECTIONS:
o EQ13 o EQ55
[ TS151 ]
C1 ENERGY= 634.1 kJ/mol
CONNECTIONS:
o EQ13 o DDC43
[ TS152 ]
C1 ENERGY= 684.5 kJ/mol
CONNECTIONS:
o EQ13 o DDC44
[ TS153 ]
C2v ENERGY= 832.4 kJ/mol
CONNECTIONS:
o EQ14 o EQ14
[ TS154 ]
C1 ENERGY= 566.4 kJ/mol
CONNECTIONS:
o EQ14 o EQ16
[ TS155 ]
C1 ENERGY= 530.1 kJ/mol
CONNECTIONS:
o EQ14 o EQ48
[ TS156 ]
C1 ENERGY= 485.4 kJ/mol
CONNECTIONS:
o EQ15 o EQ31
[ TS157 ]
Ci ENERGY= 613.7 kJ/mol
CONNECTIONS:
o EQ15 o DDC45
[ TS158 ]
C1 ENERGY= 454.6 kJ/mol
CONNECTIONS:
o EQ16 o EQ28
[ TS159 ]
C1 ENERGY= 573.8 kJ/mol
CONNECTIONS:
o EQ16 o EQ51
[ TS160 ]
Cs ENERGY= 462.7 kJ/mol
CONNECTIONS:
o EQ17 o EQ17
[ TS161 ]
C1 ENERGY= 216.3 kJ/mol
CONNECTIONS:
o EQ17 o EQ18
[ TS162 ]
C1 ENERGY= 225.7 kJ/mol
CONNECTIONS:
o EQ17 o EQ19
[ TS163 ]
C1 ENERGY= 540.8 kJ/mol
CONNECTIONS:
o EQ17 o EQ23
[ TS164 ]
C1 ENERGY= 536.5 kJ/mol
CONNECTIONS:
o EQ17 o EQ26
[ TS165 ]
C1 ENERGY= 571.1 kJ/mol
CONNECTIONS:
o EQ17 o EQ46
[ TS166 ]
C1 ENERGY= 584.1 kJ/mol
CONNECTIONS:
o EQ17 o EQ48
[ TS167 ]
C1 ENERGY= 457.2 kJ/mol
CONNECTIONS:
o EQ17 o DDC46
[ TS168 ]
C1 ENERGY= 551.0 kJ/mol
CONNECTIONS:
o EQ17 o DDC47
[ TS169 ]
C1 ENERGY= 620.2 kJ/mol
CONNECTIONS:
o EQ17 o DDC48
[ TS170 ]
C1 ENERGY= 637.8 kJ/mol
CONNECTIONS:
o EQ17 o DDC49
[ TS171 ]
C1 ENERGY= 692.5 kJ/mol
CONNECTIONS:
o EQ17 o DDC50
[ TS172 ]
C1 ENERGY= 750.4 kJ/mol
CONNECTIONS:
o EQ17 o DDC51
[ TS173 ]
Cs ENERGY= 449.2 kJ/mol
CONNECTIONS:
o EQ18 o EQ18
[ TS174 ]
C1 ENERGY= 227.1 kJ/mol
CONNECTIONS:
o EQ18 o EQ19
[ TS175 ]
C1 ENERGY= 548.6 kJ/mol
CONNECTIONS:
o EQ18 o EQ21
[ TS176 ]
C1 ENERGY= 549.9 kJ/mol
CONNECTIONS:
o EQ18 o EQ31
[ TS177 ]
C1 ENERGY= 567.9 kJ/mol
CONNECTIONS:
o EQ18 o EQ34
[ TS178 ]
C1 ENERGY= 563.6 kJ/mol
CONNECTIONS:
o EQ18 o EQ35
[ TS179 ]
C1 ENERGY= 562.6 kJ/mol
CONNECTIONS:
o EQ18 o EQ44
[ TS180 ]
C1 ENERGY= 970.1 kJ/mol
CONNECTIONS:
o EQ18 o EQ73
[ TS181 ]
C1 ENERGY= 443.2 kJ/mol
CONNECTIONS:
o EQ18 o DDC52
[ TS182 ]
C1 ENERGY= 449.6 kJ/mol
CONNECTIONS:
o EQ18 o DDC53
[ TS183 ]
C1 ENERGY= 496.4 kJ/mol
CONNECTIONS:
o EQ18 o DDC54
[ TS184 ]
C1 ENERGY= 681.2 kJ/mol
CONNECTIONS:
o EQ18 o DDC55
[ TS185 ]
C1 ENERGY= 752.3 kJ/mol
CONNECTIONS:
o EQ18 o DDC56
[ TS186 ]
C1 ENERGY= 459.4 kJ/mol
CONNECTIONS:
o EQ19 o DDC57
[ TS187 ]
C1 ENERGY= 518.7 kJ/mol
CONNECTIONS:
o EQ19 o DDC58
[ TS188 ]
C1 ENERGY= 583.2 kJ/mol
CONNECTIONS:
o EQ19 o DDC59
[ TS189 ]
C1 ENERGY= 626.1 kJ/mol
CONNECTIONS:
o EQ19 o DDC60
[ TS190 ]
Cs ENERGY= 232.7 kJ/mol
CONNECTIONS:
o EQ20 o EQ20
[ TS191 ]
C1 ENERGY= 304.3 kJ/mol
CONNECTIONS:
o EQ20 o EQ21
[ TS192 ]
C1 ENERGY= 302.0 kJ/mol
CONNECTIONS:
o EQ20 o EQ23
[ TS193 ]
Cs ENERGY= 550.8 kJ/mol
CONNECTIONS:
o EQ20 o EQ40
[ TS194 ]
C1 ENERGY= 676.5 kJ/mol
CONNECTIONS:
o EQ20 o DDC61
[ TS195 ]
C1 ENERGY= 707.2 kJ/mol
CONNECTIONS:
o EQ20 o DDC62
[ TS196 ]
C1 ENERGY= 708.7 kJ/mol
CONNECTIONS:
o EQ20 o DDC63
[ TS197 ]
C1 ENERGY= 236.7 kJ/mol
CONNECTIONS:
o EQ21 o EQ21
[ TS198 ]
C1 ENERGY= 317.5 kJ/mol
CONNECTIONS:
o EQ21 o EQ24
[ TS199 ]
C1 ENERGY= 448.7 kJ/mol
CONNECTIONS:
o EQ21 o DDC64
[ TS200 ]
C1 ENERGY= 711.8 kJ/mol
CONNECTIONS:
o EQ21 o DDC65
[ TS201 ]
C1 ENERGY= 714.4 kJ/mol
CONNECTIONS:
o EQ21 o DDC66
[ TS202 ]
Cs ENERGY= 250.8 kJ/mol
CONNECTIONS:
o EQ23 o EQ23
[ TS203 ]
C1 ENERGY= 325.7 kJ/mol
CONNECTIONS:
o EQ23 o EQ24
[ TS204 ]
C1 ENERGY= 760.9 kJ/mol
CONNECTIONS:
o EQ23 o EQ25
[ TS205 ]
Cs ENERGY= 539.8 kJ/mol
CONNECTIONS:
o EQ23 o DDC67
[ TS206 ]
Cs ENERGY= 594.8 kJ/mol
CONNECTIONS:
o EQ23 o DDC68
[ TS207 ]
C1 ENERGY= 723.7 kJ/mol
CONNECTIONS:
o EQ23 o DDC69
[ TS208 ]
C1 ENERGY= 731.1 kJ/mol
CONNECTIONS:
o EQ23 o DDC70
[ TS209 ]
Cs ENERGY= 297.3 kJ/mol
CONNECTIONS:
o EQ24 o EQ24
[ TS210 ]
Cs ENERGY= 552.5 kJ/mol
CONNECTIONS:
o EQ24 o DDC71
[ TS211 ]
Cs ENERGY= 561.6 kJ/mol
CONNECTIONS:
o EQ24 o DDC72
[ TS212 ]
C1 ENERGY= 715.5 kJ/mol
CONNECTIONS:
o EQ24 o DDC73
[ TS213 ]
C1 ENERGY= 724.9 kJ/mol
CONNECTIONS:
o EQ24 o DDC74
[ TS214 ]
C1 ENERGY= 770.1 kJ/mol
CONNECTIONS:
o EQ24 o DDC75
[ TS215 ]
Cs ENERGY= 327.1 kJ/mol
CONNECTIONS:
o EQ25 o EQ25
[ TS216 ]
C1 ENERGY= 998.4 kJ/mol
CONNECTIONS:
o EQ25 o EQ25
[ TS217 ]
C1 ENERGY= 352.8 kJ/mol
CONNECTIONS:
o EQ25 o EQ26
[ TS218 ]
C1 ENERGY= 354.1 kJ/mol
CONNECTIONS:
o EQ25 o EQ26
[ TS219 ]
C1 ENERGY= 431.6 kJ/mol
CONNECTIONS:
o EQ25 o EQ27
[ TS220 ]
C1 ENERGY= 340.5 kJ/mol
CONNECTIONS:
o EQ25 o EQ28
[ TS221 ]
C1 ENERGY= 613.9 kJ/mol
CONNECTIONS:
o EQ25 o EQ31
[ TS222 ]
C1 ENERGY= 845.9 kJ/mol
CONNECTIONS:
o EQ25 o EQ47
[ TS223 ]
C1 ENERGY= 661.4 kJ/mol
CONNECTIONS:
o EQ25 o DDC76
[ TS224 ]
C1 ENERGY= 667.9 kJ/mol
CONNECTIONS:
o EQ25 o DDC77
[ TS225 ]
C1 ENERGY= 723.8 kJ/mol
CONNECTIONS:
o EQ25 o DDC78
[ TS226 ]
C1 ENERGY= 731.0 kJ/mol
CONNECTIONS:
o EQ25 o DDC79
[ TS227 ]
C1 ENERGY= 989.1 kJ/mol
CONNECTIONS:
o EQ25 o DDC80
[ TS228 ]
C1 ENERGY= 1031.3 kJ/mol
CONNECTIONS:
o EQ25 o DDC81
[ TS229 ]
Cs ENERGY= 328.6 kJ/mol
CONNECTIONS:
o EQ26 o EQ26
[ TS230 ]
C1 ENERGY= 614.7 kJ/mol
CONNECTIONS:
o EQ26 o EQ27
[ TS231 ]
C1 ENERGY= 841.0 kJ/mol
CONNECTIONS:
o EQ26 o EQ27
[ TS232 ]
C1 ENERGY= 342.6 kJ/mol
CONNECTIONS:
o EQ26 o EQ29
[ TS233 ]
C1 ENERGY= 434.6 kJ/mol
CONNECTIONS:
o EQ26 o EQ31
[ TS234 ]
C1 ENERGY= 674.8 kJ/mol
CONNECTIONS:
o EQ26 o EQ55
[ TS235 ]
C1 ENERGY= 662.6 kJ/mol
CONNECTIONS:
o EQ26 o DDC82
[ TS236 ]
C1 ENERGY= 700.9 kJ/mol
CONNECTIONS:
o EQ26 o DDC83
[ TS237 ]
C1 ENERGY= 862.0 kJ/mol
CONNECTIONS:
o EQ26 o DDC84
[ TS238 ]
C1 ENERGY= 1019.1 kJ/mol
CONNECTIONS:
o EQ26 o DDC85
[ TS239 ]
C1 ENERGY= 442.4 kJ/mol
CONNECTIONS:
o EQ27 o EQ28
[ TS240 ]
Cs ENERGY= 620.8 kJ/mol
CONNECTIONS:
o EQ27 o EQ29
[ TS241 ]
C1 ENERGY= 371.5 kJ/mol
CONNECTIONS:
o EQ27 o EQ31
[ TS242 ]
C1 ENERGY= 491.0 kJ/mol
CONNECTIONS:
o EQ27 o DDC86
[ TS243 ]
C1 ENERGY= 504.6 kJ/mol
CONNECTIONS:
o EQ27 o DDC87
[ TS244 ]
C1 ENERGY= 744.6 kJ/mol
CONNECTIONS:
o EQ27 o DDC88
[ TS245 ]
Cs ENERGY= 629.1 kJ/mol
CONNECTIONS:
o EQ28 o EQ33
[ TS246 ]
C1 ENERGY= 689.6 kJ/mol
CONNECTIONS:
o EQ28 o DDC89
[ TS247 ]
C1 ENERGY= 446.8 kJ/mol
CONNECTIONS:
o EQ29 o EQ33
[ TS248 ]
C1 ENERGY= 701.7 kJ/mol
CONNECTIONS:
o EQ29 o EQ55
[ TS249 ]
C1 ENERGY= 800.4 kJ/mol
CONNECTIONS:
o EQ29 o DDC90
[ TS250 ]
Cs ENERGY= 360.9 kJ/mol
CONNECTIONS:
o EQ30 o EQ30
[ TS251 ]
C1 ENERGY= 360.4 kJ/mol
CONNECTIONS:
o EQ30 o EQ32
[ TS252 ]
C1 ENERGY= 369.5 kJ/mol
CONNECTIONS:
o EQ30 o EQ32
[ TS253 ]
C1 ENERGY= 373.0 kJ/mol
CONNECTIONS:
o EQ30 o EQ32
[ TS254 ]
C1 ENERGY= 375.4 kJ/mol
CONNECTIONS:
o EQ30 o EQ32
[ TS255 ]
C1 ENERGY= 476.0 kJ/mol
CONNECTIONS:
o EQ30 o EQ35
[ TS256 ]
C1 ENERGY= 879.9 kJ/mol
CONNECTIONS:
o EQ30 o EQ78
[ TS257 ]
Cs ENERGY= 418.3 kJ/mol
CONNECTIONS:
o EQ30 o DDC91
[ TS258 ]
C1 ENERGY= 609.7 kJ/mol
CONNECTIONS:
o EQ30 o DDC92
[ TS259 ]
C1 ENERGY= 628.1 kJ/mol
CONNECTIONS:
o EQ30 o DDC93
[ TS260 ]
C1 ENERGY= 793.3 kJ/mol
CONNECTIONS:
o EQ30 o DDC94
[ TS261 ]
C1 ENERGY= 799.2 kJ/mol
CONNECTIONS:
o EQ30 o DDC95
[ TS262 ]
C1 ENERGY= 830.8 kJ/mol
CONNECTIONS:
o EQ30 o DDC96
[ TS263 ]
C1 ENERGY= 844.6 kJ/mol
CONNECTIONS:
o EQ30 o DDC97
[ TS264 ]
C1 ENERGY= 889.5 kJ/mol
CONNECTIONS:
o EQ30 o DDC98
[ TS265 ]
C1 ENERGY= 373.8 kJ/mol
CONNECTIONS:
o EQ31 o EQ33
[ TS266 ]
C1 ENERGY= 697.6 kJ/mol
CONNECTIONS:
o EQ31 o EQ58
[ TS267 ]
C1 ENERGY= 611.3 kJ/mol
CONNECTIONS:
o EQ31 o DDC99
[ TS268 ]
C1 ENERGY= 622.0 kJ/mol
CONNECTIONS:
o EQ31 o DDC100
[ TS269 ]
C1 ENERGY= 670.7 kJ/mol
CONNECTIONS:
o EQ31 o DDC101
[ TS270 ]
C1 ENERGY= 692.3 kJ/mol
CONNECTIONS:
o EQ31 o DDC102
[ TS271 ]
C1 ENERGY= 698.8 kJ/mol
CONNECTIONS:
o EQ31 o DDC103
[ TS272 ]
C1 ENERGY= 734.3 kJ/mol
CONNECTIONS:
o EQ31 o DDC104
[ TS273 ]
C1 ENERGY= 464.0 kJ/mol
CONNECTIONS:
o EQ32 o EQ34
[ TS274 ]
C1 ENERGY= 469.4 kJ/mol
CONNECTIONS:
o EQ32 o EQ34
[ TS275 ]
C1 ENERGY= 883.7 kJ/mol
CONNECTIONS:
o EQ32 o EQ78
[ TS276 ]
C1 ENERGY= 886.9 kJ/mol
CONNECTIONS:
o EQ32 o EQ78
[ TS277 ]
C1 ENERGY= 639.6 kJ/mol
CONNECTIONS:
o EQ32 o DDC105
[ TS278 ]
C1 ENERGY= 797.9 kJ/mol
CONNECTIONS:
o EQ32 o DDC106
[ TS279 ]
C1 ENERGY= 386.7 kJ/mol
CONNECTIONS:
o EQ34 o EQ35
[ TS280 ]
C1 ENERGY= 392.4 kJ/mol
CONNECTIONS:
o EQ34 o EQ35
[ TS281 ]
C1 ENERGY= 393.9 kJ/mol
CONNECTIONS:
o EQ34 o EQ35
[ TS282 ]
Cs ENERGY= 552.6 kJ/mol
CONNECTIONS:
o EQ34 o DDC107
[ TS283 ]
C1 ENERGY= 613.3 kJ/mol
CONNECTIONS:
o EQ34 o DDC108
[ TS284 ]
C1 ENERGY= 627.4 kJ/mol
CONNECTIONS:
o EQ34 o DDC109
[ TS285 ]
C1 ENERGY= 629.6 kJ/mol
CONNECTIONS:
o EQ34 o DDC110
[ TS286 ]
C1 ENERGY= 663.1 kJ/mol
CONNECTIONS:
o EQ34 o DDC111
[ TS287 ]
C1 ENERGY= 815.3 kJ/mol
CONNECTIONS:
o EQ34 o DDC112
[ TS288 ]
C1 ENERGY= 821.2 kJ/mol
CONNECTIONS:
o EQ34 o DDC113
[ TS289 ]
C1 ENERGY= 854.1 kJ/mol
CONNECTIONS:
o EQ34 o DDC114
[ TS290 ]
C1 ENERGY= 863.9 kJ/mol
CONNECTIONS:
o EQ34 o DDC115
[ TS291 ]
C1 ENERGY= 817.4 kJ/mol
CONNECTIONS:
o EQ35 o DDC116
[ TS292 ]
C1 ENERGY= 856.9 kJ/mol
CONNECTIONS:
o EQ35 o DDC117
[ TS293 ]
C1 ENERGY= 875.5 kJ/mol
CONNECTIONS:
o EQ35 o DDC118
[ TS294 ]
C1 ENERGY= 915.8 kJ/mol
CONNECTIONS:
o EQ35 o DDC119
[ TS295 ]
Cs ENERGY= 429.4 kJ/mol
CONNECTIONS:
o EQ36 o EQ36
[ TS296 ]
C1 ENERGY= 593.8 kJ/mol
CONNECTIONS:
o EQ36 o EQ52
[ TS297 ]
C1 ENERGY= 587.4 kJ/mol
CONNECTIONS:
o EQ36 o EQ53
[ TS298 ]
C1 ENERGY= 820.6 kJ/mol
CONNECTIONS:
o EQ36 o EQ59
[ TS299 ]
C1 ENERGY= 973.8 kJ/mol
CONNECTIONS:
o EQ36 o EQ66
[ TS300 ]
C1 ENERGY= 917.0 kJ/mol
CONNECTIONS:
o EQ36 o DDC120
[ TS301 ]
C1 ENERGY= 918.4 kJ/mol
CONNECTIONS:
o EQ36 o DDC121
[ TS302 ]
C1 ENERGY= 922.7 kJ/mol
CONNECTIONS:
o EQ36 o DDC122
[ TS303 ]
Cs ENERGY= 1023.1 kJ/mol
CONNECTIONS:
o EQ36 o DDC123
[ TS304 ]
Cs ENERGY= 439.4 kJ/mol
CONNECTIONS:
o EQ37 o EQ37
[ TS305 ]
C1 ENERGY= 477.8 kJ/mol
CONNECTIONS:
o EQ37 o EQ40
[ TS306 ]
Cs ENERGY= 440.7 kJ/mol
CONNECTIONS:
o EQ38 o EQ38
[ TS307 ]
Cs ENERGY= 470.8 kJ/mol
CONNECTIONS:
o EQ38 o EQ38
[ TS308 ]
Cs ENERGY= 708.9 kJ/mol
CONNECTIONS:
o EQ38 o EQ38
[ TS309 ]
Cs ENERGY= 776.6 kJ/mol
CONNECTIONS:
o EQ38 o EQ38
[ TS310 ]
C1 ENERGY= 460.6 kJ/mol
CONNECTIONS:
o EQ38 o EQ39
[ TS311 ]
C1 ENERGY= 459.4 kJ/mol
CONNECTIONS:
o EQ38 o EQ41
[ TS312 ]
C1 ENERGY= 660.5 kJ/mol
CONNECTIONS:
o EQ38 o EQ52
[ TS313 ]
C1 ENERGY= 736.5 kJ/mol
CONNECTIONS:
o EQ38 o EQ59
[ TS314 ]
C1 ENERGY= 1005.5 kJ/mol
CONNECTIONS:
o EQ38 o EQ69
[ TS315 ]
C1 ENERGY= 752.3 kJ/mol
CONNECTIONS:
o EQ38 o EQ71
[ TS316 ]
C1 ENERGY= 753.6 kJ/mol
CONNECTIONS:
o EQ38 o EQ73
[ TS317 ]
C1 ENERGY= 752.8 kJ/mol
CONNECTIONS:
o EQ38 o EQ74
[ TS318 ]
C1 ENERGY= 771.5 kJ/mol
CONNECTIONS:
o EQ38 o EQ76
[ TS319 ]
C1 ENERGY= 911.4 kJ/mol
CONNECTIONS:
o EQ38 o EQ87
[ TS320 ]
C1 ENERGY= 842.5 kJ/mol
CONNECTIONS:
o EQ38 o DDC124
[ TS321 ]
C1 ENERGY= 872.7 kJ/mol
CONNECTIONS:
o EQ38 o DDC125
[ TS322 ]
C1 ENERGY= 928.5 kJ/mol
CONNECTIONS:
o EQ38 o DDC126
[ TS323 ]
C1 ENERGY= 993.2 kJ/mol
CONNECTIONS:
o EQ38 o DDC127
[ TS324 ]
C1 ENERGY= 1004.4 kJ/mol
CONNECTIONS:
o EQ38 o DDC128
[ TS325 ]
C1 ENERGY= 1122.1 kJ/mol
CONNECTIONS:
o EQ38 o DDC129
[ TS326 ]
C1 ENERGY= 442.3 kJ/mol
CONNECTIONS:
o EQ39 o EQ41
[ TS327 ]
C1 ENERGY= 444.4 kJ/mol
CONNECTIONS:
o EQ39 o EQ41
[ TS328 ]
C1 ENERGY= 474.8 kJ/mol
CONNECTIONS:
o EQ39 o EQ41
[ TS329 ]
C1 ENERGY= 737.9 kJ/mol
CONNECTIONS:
o EQ39 o EQ56
[ TS330 ]
C1 ENERGY= 775.3 kJ/mol
CONNECTIONS:
o EQ39 o EQ64
[ TS331 ]
C1 ENERGY= 748.9 kJ/mol
CONNECTIONS:
o EQ39 o EQ72
[ TS332 ]
C1 ENERGY= 760.0 kJ/mol
CONNECTIONS:
o EQ39 o EQ75
[ TS333 ]
C1 ENERGY= 855.5 kJ/mol
CONNECTIONS:
o EQ39 o EQ82
[ TS334 ]
C1 ENERGY= 846.6 kJ/mol
CONNECTIONS:
o EQ39 o DDC130
[ TS335 ]
C1 ENERGY= 871.7 kJ/mol
CONNECTIONS:
o EQ39 o DDC131
[ TS336 ]
Cs ENERGY= 465.6 kJ/mol
CONNECTIONS:
o EQ40 o EQ40
[ TS337 ]
Cs ENERGY= 766.1 kJ/mol
CONNECTIONS:
o EQ41 o EQ41
[ TS338 ]
Cs ENERGY= 770.6 kJ/mol
CONNECTIONS:
o EQ41 o EQ41
[ TS339 ]
Cs ENERGY= 1040.6 kJ/mol
CONNECTIONS:
o EQ41 o EQ41
[ TS340 ]
C1 ENERGY= 742.1 kJ/mol
CONNECTIONS:
o EQ41 o EQ56
[ TS341 ]
C1 ENERGY= 785.4 kJ/mol
CONNECTIONS:
o EQ41 o EQ67
[ TS342 ]
C1 ENERGY= 850.4 kJ/mol
CONNECTIONS:
o EQ41 o EQ71
[ TS343 ]
C1 ENERGY= 898.7 kJ/mol
CONNECTIONS:
o EQ41 o EQ71
[ TS344 ]
C1 ENERGY= 747.6 kJ/mol
CONNECTIONS:
o EQ41 o EQ72
[ TS345 ]
C1 ENERGY= 919.9 kJ/mol
CONNECTIONS:
o EQ41 o EQ73
[ TS346 ]
C1 ENERGY= 882.9 kJ/mol
CONNECTIONS:
o EQ41 o EQ74
[ TS347 ]
C1 ENERGY= 759.5 kJ/mol
CONNECTIONS:
o EQ41 o EQ75
[ TS348 ]
C1 ENERGY= 853.9 kJ/mol
CONNECTIONS:
o EQ41 o DDC132
[ TS349 ]
C1 ENERGY= 869.9 kJ/mol
CONNECTIONS:
o EQ41 o DDC133
[ TS350 ]
C1 ENERGY= 932.9 kJ/mol
CONNECTIONS:
o EQ41 o DDC134
[ TS351 ]
Cs ENERGY= 462.0 kJ/mol
CONNECTIONS:
o EQ42 o EQ42
[ TS352 ]
C1 ENERGY= 452.7 kJ/mol
CONNECTIONS:
o EQ42 o DDC135
[ TS353 ]
C1 ENERGY= 453.5 kJ/mol
CONNECTIONS:
o EQ42 o DDC136
[ TS354 ]
C1 ENERGY= 731.1 kJ/mol
CONNECTIONS:
o EQ42 o DDC137
[ TS355 ]
Cs ENERGY= 462.8 kJ/mol
CONNECTIONS:
o EQ43 o EQ43
[ TS356 ]
C1 ENERGY= 454.5 kJ/mol
CONNECTIONS:
o EQ43 o DDC138
[ TS357 ]
C1 ENERGY= 589.0 kJ/mol
CONNECTIONS:
o EQ43 o DDC139
[ TS358 ]
C1 ENERGY= 738.1 kJ/mol
CONNECTIONS:
o EQ43 o DDC140
[ TS359 ]
Cs ENERGY= 466.4 kJ/mol
CONNECTIONS:
o EQ44 o EQ44
[ TS360 ]
C1 ENERGY= 457.8 kJ/mol
CONNECTIONS:
o EQ44 o EQ45
[ TS361 ]
C1 ENERGY= 477.0 kJ/mol
CONNECTIONS:
o EQ44 o EQ46
[ TS362 ]
C1 ENERGY= 482.0 kJ/mol
CONNECTIONS:
o EQ44 o EQ46
[ TS363 ]
C1 ENERGY= 476.2 kJ/mol
CONNECTIONS:
o EQ44 o EQ47
[ TS364 ]
C1 ENERGY= 613.9 kJ/mol
CONNECTIONS:
o EQ44 o EQ47
[ TS365 ]
C1 ENERGY= 483.7 kJ/mol
CONNECTIONS:
o EQ44 o EQ51
[ TS366 ]
C1 ENERGY= 688.7 kJ/mol
CONNECTIONS:
o EQ44 o DDC141
[ TS367 ]
C1 ENERGY= 837.0 kJ/mol
CONNECTIONS:
o EQ44 o DDC142
[ TS368 ]
C1 ENERGY= 469.0 kJ/mol
CONNECTIONS:
o EQ45 o EQ46
[ TS369 ]
C1 ENERGY= 474.7 kJ/mol
CONNECTIONS:
o EQ45 o EQ47
[ TS370 ]
C1 ENERGY= 470.5 kJ/mol
CONNECTIONS:
o EQ45 o EQ48
[ TS371 ]
C1 ENERGY= 476.2 kJ/mol
CONNECTIONS:
o EQ45 o EQ49
[ TS372 ]
C1 ENERGY= 482.5 kJ/mol
CONNECTIONS:
o EQ45 o EQ51
[ TS373 ]
C1 ENERGY= 496.4 kJ/mol
CONNECTIONS:
o EQ45 o EQ51
[ TS374 ]
C1 ENERGY= 471.1 kJ/mol
CONNECTIONS:
o EQ46 o EQ49
[ TS375 ]
C1 ENERGY= 707.6 kJ/mol
CONNECTIONS:
o EQ46 o DDC143
[ TS376 ]
C1 ENERGY= 836.5 kJ/mol
CONNECTIONS:
o EQ46 o DDC144
[ TS377 ]
Cs ENERGY= 483.5 kJ/mol
CONNECTIONS:
o EQ47 o EQ47
[ TS378 ]
C1 ENERGY= 474.3 kJ/mol
CONNECTIONS:
o EQ47 o EQ48
[ TS379 ]
C1 ENERGY= 489.1 kJ/mol
CONNECTIONS:
o EQ47 o EQ48
[ TS380 ]
C1 ENERGY= 477.5 kJ/mol
CONNECTIONS:
o EQ47 o EQ49
[ TS381 ]
C1 ENERGY= 487.6 kJ/mol
CONNECTIONS:
o EQ47 o EQ51
[ TS382 ]
C1 ENERGY= 705.3 kJ/mol
CONNECTIONS:
o EQ47 o DDC145
[ TS383 ]
C1 ENERGY= 711.5 kJ/mol
CONNECTIONS:
o EQ47 o DDC146
[ TS384 ]
C1 ENERGY= 875.2 kJ/mol
CONNECTIONS:
o EQ47 o DDC147
[ TS385 ]
Cs ENERGY= 474.6 kJ/mol
CONNECTIONS:
o EQ48 o EQ48
[ TS386 ]
C1 ENERGY= 812.9 kJ/mol
CONNECTIONS:
o EQ48 o DDC148
[ TS387 ]
C1 ENERGY= 997.3 kJ/mol
CONNECTIONS:
o EQ48 o DDC149
[ TS388 ]
C1 ENERGY= 483.2 kJ/mol
CONNECTIONS:
o EQ49 o EQ51
[ TS389 ]
C1 ENERGY= 834.8 kJ/mol
CONNECTIONS:
o EQ50 o EQ52
[ TS390 ]
C1 ENERGY= 839.5 kJ/mol
CONNECTIONS:
o EQ50 o EQ52
[ TS391 ]
C1 ENERGY= 913.5 kJ/mol
CONNECTIONS:
o EQ50 o EQ66
[ TS392 ]
C1 ENERGY= 807.8 kJ/mol
CONNECTIONS:
o EQ50 o EQ70
[ TS393 ]
C1 ENERGY= 849.7 kJ/mol
CONNECTIONS:
o EQ50 o EQ70
[ TS394 ]
C1 ENERGY= 874.9 kJ/mol
CONNECTIONS:
o EQ50 o EQ71
[ TS395 ]
C1 ENERGY= 944.5 kJ/mol
CONNECTIONS:
o EQ50 o EQ87
[ TS396 ]
C1 ENERGY= 806.6 kJ/mol
CONNECTIONS:
o EQ50 o DDC150
[ TS397 ]
C1 ENERGY= 922.4 kJ/mol
CONNECTIONS:
o EQ50 o DDC151
[ TS398 ]
Cs ENERGY= 980.9 kJ/mol
CONNECTIONS:
o EQ50 o DDC152
[ TS399 ]
Cs ENERGY= 497.9 kJ/mol
CONNECTIONS:
o EQ51 o EQ51
[ TS400 ]
Cs ENERGY= 519.4 kJ/mol
CONNECTIONS:
o EQ52 o EQ52
[ TS401 ]
C1 ENERGY= 896.1 kJ/mol
CONNECTIONS:
o EQ52 o EQ68
[ TS402 ]
C1 ENERGY= 1048.3 kJ/mol
CONNECTIONS:
o EQ52 o EQ81
[ TS403 ]
C1 ENERGY= 939.3 kJ/mol
CONNECTIONS:
o EQ52 o DDC153
[ TS404 ]
C1 ENERGY= 963.1 kJ/mol
CONNECTIONS:
o EQ52 o DDC154
[ TS405 ]
Cs ENERGY= 520.6 kJ/mol
CONNECTIONS:
o EQ53 o EQ53
[ TS406 ]
Cs ENERGY= 697.4 kJ/mol
CONNECTIONS:
o EQ53 o EQ56
[ TS407 ]
C1 ENERGY= 915.1 kJ/mol
CONNECTIONS:
o EQ53 o EQ64
[ TS408 ]
C1 ENERGY= 932.6 kJ/mol
CONNECTIONS:
o EQ53 o EQ64
[ TS409 ]
C1 ENERGY= 1006.9 kJ/mol
CONNECTIONS:
o EQ53 o EQ80
[ TS410 ]
Cs ENERGY= 1114.4 kJ/mol
CONNECTIONS:
o EQ53 o EQ80
[ TS411 ]
Cs ENERGY= 1168.3 kJ/mol
CONNECTIONS:
o EQ53 o EQ89
[ TS412 ]
C1 ENERGY= 620.4 kJ/mol
CONNECTIONS:
o EQ53 o DDC155
[ TS413 ]
C1 ENERGY= 943.0 kJ/mol
CONNECTIONS:
o EQ53 o DDC156
[ TS414 ]
C1 ENERGY= 1004.0 kJ/mol
CONNECTIONS:
o EQ53 o DDC157
[ TS415 ]
C1 ENERGY= 1081.2 kJ/mol
CONNECTIONS:
o EQ53 o DDC158
[ TS416 ]
C1 ENERGY= 1130.9 kJ/mol
CONNECTIONS:
o EQ53 o DDC159
[ TS417 ]
Cs ENERGY= 583.1 kJ/mol
CONNECTIONS:
o EQ54 o DDC160
[ TS418 ]
C1 ENERGY= 690.2 kJ/mol
CONNECTIONS:
o EQ54 o DDC161
[ TS419 ]
Cs ENERGY= 558.3 kJ/mol
CONNECTIONS:
o EQ55 o EQ55
[ TS420 ]
C1 ENERGY= 604.5 kJ/mol
CONNECTIONS:
o EQ55 o EQ58
[ TS421 ]
C1 ENERGY= 604.9 kJ/mol
CONNECTIONS:
o EQ55 o EQ58
[ TS422 ]
C1 ENERGY= 589.2 kJ/mol
CONNECTIONS:
o EQ55 o EQ60
[ TS423 ]
Cs ENERGY= 589.9 kJ/mol
CONNECTIONS:
o EQ55 o EQ60
[ TS424 ]
C1 ENERGY= 561.5 kJ/mol
CONNECTIONS:
o EQ55 o DDC162
[ TS425 ]
C1 ENERGY= 903.3 kJ/mol
CONNECTIONS:
o EQ55 o DDC163
[ TS426 ]
Cs ENERGY= 567.1 kJ/mol
CONNECTIONS:
o EQ56 o EQ56
[ TS427 ]
C1 ENERGY= 575.8 kJ/mol
CONNECTIONS:
o EQ56 o EQ57
[ TS428 ]
C1 ENERGY= 703.0 kJ/mol
CONNECTIONS:
o EQ56 o EQ59
[ TS429 ]
C1 ENERGY= 943.5 kJ/mol
CONNECTIONS:
o EQ56 o DDC164
[ TS430 ]
C1 ENERGY= 961.8 kJ/mol
CONNECTIONS:
o EQ56 o DDC165
[ TS431 ]
Cs ENERGY= 979.6 kJ/mol
CONNECTIONS:
o EQ56 o DDC166
[ TS432 ]
C1 ENERGY= 979.7 kJ/mol
CONNECTIONS:
o EQ56 o DDC167
[ TS433 ]
C1 ENERGY= 987.6 kJ/mol
CONNECTIONS:
o EQ56 o DDC168
[ TS434 ]
Cs ENERGY= 578.3 kJ/mol
CONNECTIONS:
o EQ57 o EQ57
[ TS435 ]
C1 ENERGY= 717.5 kJ/mol
CONNECTIONS:
o EQ57 o EQ59
[ TS436 ]
C1 ENERGY= 692.5 kJ/mol
CONNECTIONS:
o EQ57 o DDC169
[ TS437 ]
Cs ENERGY= 578.4 kJ/mol
CONNECTIONS:
o EQ58 o EQ58
[ TS438 ]
C1 ENERGY= 612.8 kJ/mol
CONNECTIONS:
o EQ58 o EQ65
[ TS439 ]
Cs ENERGY= 613.1 kJ/mol
CONNECTIONS:
o EQ58 o EQ65
[ TS440 ]
C1 ENERGY= 580.8 kJ/mol
CONNECTIONS:
o EQ58 o DDC170
[ TS441 ]
C1 ENERGY= 932.9 kJ/mol
CONNECTIONS:
o EQ58 o DDC171
[ TS442 ]
C1 ENERGY= 956.2 kJ/mol
CONNECTIONS:
o EQ58 o DDC172
[ TS443 ]
C1 ENERGY= 960.3 kJ/mol
CONNECTIONS:
o EQ58 o DDC173
[ TS444 ]
Cs ENERGY= 582.7 kJ/mol
CONNECTIONS:
o EQ59 o EQ59
[ TS445 ]
Cs ENERGY= 614.5 kJ/mol
CONNECTIONS:
o EQ59 o EQ59
[ TS446 ]
C1 ENERGY= 802.6 kJ/mol
CONNECTIONS:
o EQ59 o EQ77
[ TS447 ]
C1 ENERGY= 828.6 kJ/mol
CONNECTIONS:
o EQ59 o EQ79
[ TS448 ]
Cs ENERGY= 939.1 kJ/mol
CONNECTIONS:
o EQ59 o DDC174
[ TS449 ]
Cs ENERGY= 967.8 kJ/mol
CONNECTIONS:
o EQ59 o DDC175
[ TS450 ]
C1 ENERGY= 1068.2 kJ/mol
CONNECTIONS:
o EQ59 o DDC176
[ TS451 ]
Cs ENERGY= 589.3 kJ/mol
CONNECTIONS:
o EQ61 o EQ61
[ TS452 ]
Cs ENERGY= 588.9 kJ/mol
CONNECTIONS:
o EQ61 o DDC177
[ TS453 ]
C1 ENERGY= 659.9 kJ/mol
CONNECTIONS:
o EQ61 o DDC178
[ TS454 ]
Cs ENERGY= 601.4 kJ/mol
CONNECTIONS:
o EQ62 o EQ62
[ TS455 ]
Cs ENERGY= 596.5 kJ/mol
CONNECTIONS:
o EQ62 o DDC179
[ TS456 ]
C1 ENERGY= 668.3 kJ/mol
CONNECTIONS:
o EQ62 o DDC180
[ TS457 ]
C1 ENERGY= 675.5 kJ/mol
CONNECTIONS:
o EQ62 o DDC181
[ TS458 ]
Cs ENERGY= 605.3 kJ/mol
CONNECTIONS:
o EQ63 o EQ63
[ TS459 ]
Cs ENERGY= 609.0 kJ/mol
CONNECTIONS:
o EQ63 o EQ63
[ TS460 ]
C1 ENERGY= 624.7 kJ/mol
CONNECTIONS:
o EQ63 o DDC182
[ TS461 ]
C1 ENERGY= 701.2 kJ/mol
CONNECTIONS:
o EQ63 o DDC183
[ TS462 ]
C1 ENERGY= 935.0 kJ/mol
CONNECTIONS:
o EQ63 o DDC184
[ TS463 ]
Cs ENERGY= 628.2 kJ/mol
CONNECTIONS:
o EQ64 o EQ64
[ TS464 ]
Cs ENERGY= 935.5 kJ/mol
CONNECTIONS:
o EQ64 o EQ64
[ TS465 ]
C1 ENERGY= 615.7 kJ/mol
CONNECTIONS:
o EQ64 o EQ67
[ TS466 ]
C1 ENERGY= 623.4 kJ/mol
CONNECTIONS:
o EQ64 o EQ69
[ TS467 ]
C1 ENERGY= 944.5 kJ/mol
CONNECTIONS:
o EQ64 o EQ79
[ TS468 ]
C1 ENERGY= 914.2 kJ/mol
CONNECTIONS:
o EQ64 o EQ83
[ TS469 ]
C1 ENERGY= 923.3 kJ/mol
CONNECTIONS:
o EQ64 o EQ83
[ TS470 ]
C1 ENERGY= 925.3 kJ/mol
CONNECTIONS:
o EQ64 o EQ86
[ TS471 ]
C1 ENERGY= 929.5 kJ/mol
CONNECTIONS:
o EQ64 o EQ86
[ TS472 ]
C1 ENERGY= 832.1 kJ/mol
CONNECTIONS:
o EQ64 o DDC185
[ TS473 ]
C1 ENERGY= 953.6 kJ/mol
CONNECTIONS:
o EQ65 o DDC186
[ TS474 ]
Cs ENERGY= 622.6 kJ/mol
CONNECTIONS:
o EQ66 o EQ66
[ TS475 ]
Cs ENERGY= 1037.9 kJ/mol
CONNECTIONS:
o EQ66 o EQ66
[ TS476 ]
C1 ENERGY= 1082.6 kJ/mol
CONNECTIONS:
o EQ66 o EQ66
[ TS477 ]
C1 ENERGY= 764.9 kJ/mol
CONNECTIONS:
o EQ66 o EQ68
[ TS478 ]
C1 ENERGY= 777.6 kJ/mol
CONNECTIONS:
o EQ66 o EQ68
[ TS479 ]
C1 ENERGY= 847.1 kJ/mol
CONNECTIONS:
o EQ66 o EQ80
[ TS480 ]
C1 ENERGY= 908.5 kJ/mol
CONNECTIONS:
o EQ66 o EQ80
[ TS481 ]
Cs ENERGY= 1006.9 kJ/mol
CONNECTIONS:
o EQ66 o EQ80
[ TS482 ]
C1 ENERGY= 884.9 kJ/mol
CONNECTIONS:
o EQ66 o EQ81
[ TS483 ]
Cs ENERGY= 1163.8 kJ/mol
CONNECTIONS:
o EQ66 o EQ89
[ TS484 ]
C1 ENERGY= 1042.0 kJ/mol
CONNECTIONS:
o EQ66 o DDC187
[ TS485 ]
C1 ENERGY= 1058.2 kJ/mol
CONNECTIONS:
o EQ66 o DDC188
[ TS486 ]
C1 ENERGY= 621.4 kJ/mol
CONNECTIONS:
o EQ67 o EQ69
[ TS487 ]
C1 ENERGY= 1046.8 kJ/mol
CONNECTIONS:
o EQ67 o EQ84
[ TS488 ]
C1 ENERGY= 958.6 kJ/mol
CONNECTIONS:
o EQ67 o EQ88
[ TS489 ]
C1 ENERGY= 690.1 kJ/mol
CONNECTIONS:
o EQ67 o DDC189
[ TS490 ]
Cs ENERGY= 627.3 kJ/mol
CONNECTIONS:
o EQ68 o EQ68
[ TS491 ]
Cs ENERGY= 1198.5 kJ/mol
CONNECTIONS:
o EQ68 o EQ68
[ TS492 ]
Cs ENERGY= 1024.1 kJ/mol
CONNECTIONS:
o EQ68 o EQ81
[ TS493 ]
Cs ENERGY= 694.2 kJ/mol
CONNECTIONS:
o EQ68 o DDC190
[ TS494 ]
Cs ENERGY= 747.9 kJ/mol
CONNECTIONS:
o EQ68 o DDC191
[ TS495 ]
C1 ENERGY= 1049.7 kJ/mol
CONNECTIONS:
o EQ68 o DDC192
[ TS496 ]
C1 ENERGY= 1060.5 kJ/mol
CONNECTIONS:
o EQ68 o DDC193
[ TS497 ]
Cs ENERGY= 632.8 kJ/mol
CONNECTIONS:
o EQ69 o EQ69
[ TS498 ]
Cs ENERGY= 1003.7 kJ/mol
CONNECTIONS:
o EQ69 o EQ69
[ TS499 ]
C1 ENERGY= 944.9 kJ/mol
CONNECTIONS:
o EQ69 o EQ71
[ TS500 ]
C1 ENERGY= 888.0 kJ/mol
CONNECTIONS:
o EQ69 o EQ73
[ TS501 ]
C1 ENERGY= 895.9 kJ/mol
CONNECTIONS:
o EQ69 o EQ74
[ TS502 ]
C1 ENERGY= 890.1 kJ/mol
CONNECTIONS:
o EQ69 o EQ77
[ TS503 ]
C1 ENERGY= 894.7 kJ/mol
CONNECTIONS:
o EQ69 o EQ77
[ TS504 ]
C1 ENERGY= 934.6 kJ/mol
CONNECTIONS:
o EQ69 o EQ84
[ TS505 ]
C1 ENERGY= 939.2 kJ/mol
CONNECTIONS:
o EQ69 o EQ84
[ TS506 ]
C1 ENERGY= 805.5 kJ/mol
CONNECTIONS:
o EQ69 o DDC194
[ TS507 ]
C2v ENERGY= 713.9 kJ/mol
CONNECTIONS:
o EQ70 o EQ70
[ TS508 ]
C2v ENERGY= 1166.2 kJ/mol
CONNECTIONS:
o EQ70 o EQ70
[ TS509 ]
C1 ENERGY= 1018.0 kJ/mol
CONNECTIONS:
o EQ70 o EQ80
[ TS510 ]
C1 ENERGY= 1119.8 kJ/mol
CONNECTIONS:
o EQ70 o EQ80
[ TS511 ]
C1 ENERGY= 1017.9 kJ/mol
CONNECTIONS:
o EQ70 o EQ81
[ TS512 ]
Cs ENERGY= 815.6 kJ/mol
CONNECTIONS:
o EQ70 o DDC195
[ TS513 ]
C1 ENERGY= 1148.2 kJ/mol
CONNECTIONS:
o EQ70 o DDC196
[ TS514 ]
C1 ENERGY= 769.8 kJ/mol
CONNECTIONS:
o EQ71 o EQ74
[ TS515 ]
C1 ENERGY= 853.7 kJ/mol
CONNECTIONS:
o EQ71 o EQ74
[ TS516 ]
C1 ENERGY= 737.2 kJ/mol
CONNECTIONS:
o EQ71 o EQ75
[ TS517 ]
C1 ENERGY= 732.5 kJ/mol
CONNECTIONS:
o EQ71 o EQ76
[ TS518 ]
C1 ENERGY= 754.3 kJ/mol
CONNECTIONS:
o EQ71 o EQ76
[ TS519 ]
C1 ENERGY= 985.3 kJ/mol
CONNECTIONS:
o EQ71 o DDC197
[ TS520 ]
C1 ENERGY= 1016.7 kJ/mol
CONNECTIONS:
o EQ71 o DDC198
[ TS521 ]
Cs ENERGY= 722.9 kJ/mol
CONNECTIONS:
o EQ72 o EQ72
[ TS522 ]
Cs ENERGY= 755.8 kJ/mol
CONNECTIONS:
o EQ72 o EQ72
[ TS523 ]
C1 ENERGY= 732.8 kJ/mol
CONNECTIONS:
o EQ72 o EQ73
[ TS524 ]
C1 ENERGY= 734.4 kJ/mol
CONNECTIONS:
o EQ72 o EQ74
[ TS525 ]
C1 ENERGY= 778.2 kJ/mol
CONNECTIONS:
o EQ72 o EQ75
[ TS526 ]
C1 ENERGY= 780.7 kJ/mol
CONNECTIONS:
o EQ72 o EQ75
[ TS527 ]
C1 ENERGY= 988.3 kJ/mol
CONNECTIONS:
o EQ72 o DDC199
[ TS528 ]
C1 ENERGY= 990.0 kJ/mol
CONNECTIONS:
o EQ72 o DDC200
[ TS529 ]
C1 ENERGY= 723.9 kJ/mol
CONNECTIONS:
o EQ73 o EQ74
[ TS530 ]
C1 ENERGY= 744.6 kJ/mol
CONNECTIONS:
o EQ73 o EQ74
[ TS531 ]
C1 ENERGY= 773.9 kJ/mol
CONNECTIONS:
o EQ73 o EQ76
[ TS532 ]
C1 ENERGY= 778.4 kJ/mol
CONNECTIONS:
o EQ73 o EQ76
[ TS533 ]
C1 ENERGY= 916.2 kJ/mol
CONNECTIONS:
o EQ73 o DDC201
[ TS534 ]
C1 ENERGY= 989.4 kJ/mol
CONNECTIONS:
o EQ73 o DDC202
[ TS535 ]
C1 ENERGY= 896.2 kJ/mol
CONNECTIONS:
o EQ74 o DDC203
[ TS536 ]
C1 ENERGY= 991.1 kJ/mol
CONNECTIONS:
o EQ74 o DDC204
[ TS537 ]
C1 ENERGY= 992.4 kJ/mol
CONNECTIONS:
o EQ74 o DDC205
[ TS538 ]
Cs ENERGY= 727.3 kJ/mol
CONNECTIONS:
o EQ75 o EQ75
[ TS539 ]
Cs ENERGY= 765.3 kJ/mol
CONNECTIONS:
o EQ75 o EQ75
[ TS540 ]
C1 ENERGY= 740.5 kJ/mol
CONNECTIONS:
o EQ75 o EQ76
[ TS541 ]
C1 ENERGY= 987.4 kJ/mol
CONNECTIONS:
o EQ75 o EQ83
[ TS542 ]
C1 ENERGY= 993.9 kJ/mol
CONNECTIONS:
o EQ76 o EQ88
[ TS543 ]
Cs ENERGY= 769.4 kJ/mol
CONNECTIONS:
o EQ77 o EQ77
[ TS544 ]
C1 ENERGY= 865.5 kJ/mol
CONNECTIONS:
o EQ77 o EQ79
[ TS545 ]
C1 ENERGY= 870.8 kJ/mol
CONNECTIONS:
o EQ77 o EQ79
[ TS546 ]
C1 ENERGY= 932.1 kJ/mol
CONNECTIONS:
o EQ77 o DDC206
[ TS547 ]
C1 ENERGY= 1111.4 kJ/mol
CONNECTIONS:
o EQ77 o DDC207
[ TS548 ]
C1 ENERGY= 1147.0 kJ/mol
CONNECTIONS:
o EQ77 o DDC208
[ TS549 ]
C1 ENERGY= 818.3 kJ/mol
CONNECTIONS:
o EQ78 o EQ78
[ TS550 ]
C1 ENERGY= 787.5 kJ/mol
CONNECTIONS:
o EQ78 o DDC209
[ TS551 ]
C1 ENERGY= 819.4 kJ/mol
CONNECTIONS:
o EQ78 o DDC210
[ TS552 ]
C1 ENERGY= 905.6 kJ/mol
CONNECTIONS:
o EQ78 o DDC211
[ TS553 ]
Cs ENERGY= 806.0 kJ/mol
CONNECTIONS:
o EQ79 o EQ79
[ TS554 ]
C1 ENERGY= 1314.4 kJ/mol
CONNECTIONS:
o EQ79 o EQ83
[ TS555 ]
Cs ENERGY= 1075.7 kJ/mol
CONNECTIONS:
o EQ79 o DDC212
[ TS556 ]
Cs ENERGY= 812.0 kJ/mol
CONNECTIONS:
o EQ80 o EQ80
[ TS557 ]
C1 ENERGY= 928.0 kJ/mol
CONNECTIONS:
o EQ80 o EQ81
[ TS558 ]
Cs ENERGY= 1084.1 kJ/mol
CONNECTIONS:
o EQ80 o DDC213
[ TS559 ]
C1 ENERGY= 1298.2 kJ/mol
CONNECTIONS:
o EQ80 o DDC214
[ TS560 ]
C1 ENERGY= 1311.6 kJ/mol
CONNECTIONS:
o EQ80 o DDC215
[ TS561 ]
Cs ENERGY= 850.7 kJ/mol
CONNECTIONS:
o EQ81 o EQ81
[ TS562 ]
Cs ENERGY= 1077.4 kJ/mol
CONNECTIONS:
o EQ81 o DDC216
[ TS563 ]
Cs ENERGY= 1254.8 kJ/mol
CONNECTIONS:
o EQ81 o DDC217
[ TS564 ]
C1 ENERGY= 1317.5 kJ/mol
CONNECTIONS:
o EQ81 o DDC218
[ TS565 ]
C1 ENERGY= 1354.2 kJ/mol
CONNECTIONS:
o EQ81 o DDC219
[ TS566 ]
C1 ENERGY= 857.5 kJ/mol
CONNECTIONS:
o EQ82 o EQ82
[ TS567 ]
C1 ENERGY= 912.7 kJ/mol
CONNECTIONS:
o EQ82 o DDC220
[ TS568 ]
Cs ENERGY= 898.4 kJ/mol
CONNECTIONS:
o EQ83 o EQ83
[ TS569 ]
C1 ENERGY= 929.9 kJ/mol
CONNECTIONS:
o EQ83 o EQ85
[ TS570 ]
C1 ENERGY= 1003.3 kJ/mol
CONNECTIONS:
o EQ83 o EQ85
[ TS571 ]
C1 ENERGY= 933.9 kJ/mol
CONNECTIONS:
o EQ83 o EQ86
[ TS572 ]
C1 ENERGY= 948.2 kJ/mol
CONNECTIONS:
o EQ83 o EQ86
[ TS573 ]
C1 ENERGY= 999.9 kJ/mol
CONNECTIONS:
o EQ83 o EQ86
[ TS574 ]
C1 ENERGY= 903.7 kJ/mol
CONNECTIONS:
o EQ83 o EQ87
[ TS575 ]
C1 ENERGY= 898.1 kJ/mol
CONNECTIONS:
o EQ83 o EQ88
[ TS576 ]
C1 ENERGY= 927.2 kJ/mol
CONNECTIONS:
o EQ83 o EQ88
[ TS577 ]
C1 ENERGY= 991.4 kJ/mol
CONNECTIONS:
o EQ83 o DDC221
[ TS578 ]
C1 ENERGY= 1030.4 kJ/mol
CONNECTIONS:
o EQ83 o DDC222
[ TS579 ]
C1 ENERGY= 1171.2 kJ/mol
CONNECTIONS:
o EQ83 o DDC223
[ TS580 ]
C1 ENERGY= 895.2 kJ/mol
CONNECTIONS:
o EQ84 o EQ85
[ TS581 ]
C1 ENERGY= 908.4 kJ/mol
CONNECTIONS:
o EQ84 o EQ85
[ TS582 ]
C1 ENERGY= 891.6 kJ/mol
CONNECTIONS:
o EQ84 o EQ86
[ TS583 ]
C1 ENERGY= 936.2 kJ/mol
CONNECTIONS:
o EQ84 o EQ88
[ TS584 ]
C1 ENERGY= 999.4 kJ/mol
CONNECTIONS:
o EQ84 o DDC224
[ TS585 ]
C1 ENERGY= 895.9 kJ/mol
CONNECTIONS:
o EQ85 o EQ86
[ TS586 ]
Cs ENERGY= 915.2 kJ/mol
CONNECTIONS:
o EQ86 o EQ86
[ TS587 ]
C1 ENERGY= 1187.8 kJ/mol
CONNECTIONS:
o EQ86 o DDC225
[ TS588 ]
Cs ENERGY= 1163.5 kJ/mol
CONNECTIONS:
o EQ89 o EQ89
[ TS589 ]
C1 ENERGY= 1203.9 kJ/mol
CONNECTIONS:
o EQ89 o DDC226
[ TS590 ]
C1 ENERGY= 1204.0 kJ/mol
CONNECTIONS:
o EQ89 o DDC227
[ TS591 ]
C1 ENERGY= 338.1 kJ/mol
CONNECTIONS:
o DDC229 o DDC228
[ TS592 ]
C1 ENERGY= 380.0 kJ/mol
CONNECTIONS:
o DDC231 o DDC230
[ TS593 ]
C1 ENERGY= 399.7 kJ/mol
CONNECTIONS:
o DDC233 o DDC232
[ TS594 ]
C1 ENERGY= 423.7 kJ/mol
CONNECTIONS:
o DDC235 o DDC234
[ TS595 ]
C1 ENERGY= 432.9 kJ/mol
CONNECTIONS:
o DDC237 o DDC236
[ TS596 ]
Cs ENERGY= 441.5 kJ/mol
CONNECTIONS:
o DDC239 o DDC238
[ TS597 ]
C1 ENERGY= 456.4 kJ/mol
CONNECTIONS:
o DDC241 o DDC240
[ TS598 ]
C1 ENERGY= 467.2 kJ/mol
CONNECTIONS:
o DDC243 o DDC242
[ TS599 ]
C1 ENERGY= 473.0 kJ/mol
CONNECTIONS:
o DDC245 o DDC244
[ TS600 ]
C1 ENERGY= 473.8 kJ/mol
CONNECTIONS:
o DDC247 o DDC246
[ TS601 ]
Cs ENERGY= 490.3 kJ/mol
CONNECTIONS:
o DDC249 o DDC248
[ TS602 ]
Cs ENERGY= 502.2 kJ/mol
CONNECTIONS:
o DDC251 o DDC250
[ TS603 ]
C1 ENERGY= 514.0 kJ/mol
CONNECTIONS:
o DDC253 o DDC252
[ TS604 ]
C1 ENERGY= 515.7 kJ/mol
CONNECTIONS:
o DDC255 o DDC254
[ TS605 ]
C1 ENERGY= 523.7 kJ/mol
CONNECTIONS:
o DDC257 o DDC256
[ TS606 ]
C1 ENERGY= 532.7 kJ/mol
CONNECTIONS:
o DDC259 o DDC258
[ TS607 ]
C1 ENERGY= 535.0 kJ/mol
CONNECTIONS:
o DDC261 o DDC260
[ TS608 ]
Cs ENERGY= 555.7 kJ/mol
CONNECTIONS:
o DDC263 o DDC262
[ TS609 ]
Cs ENERGY= 558.9 kJ/mol
CONNECTIONS:
o DDC265 o DDC264
[ TS610 ]
C1 ENERGY= 566.8 kJ/mol
CONNECTIONS:
o DDC267 o DDC266
[ TS611 ]
Cs ENERGY= 580.8 kJ/mol
CONNECTIONS:
o DDC269 o DDC268
[ TS612 ]
Cs ENERGY= 581.1 kJ/mol
CONNECTIONS:
o DDC271 o DDC270
[ TS613 ]
C1 ENERGY= 586.6 kJ/mol
CONNECTIONS:
o DDC273 o DDC272
[ TS614 ]
C1 ENERGY= 614.4 kJ/mol
CONNECTIONS:
o DDC275 o DDC274
[ TS615 ]
C1 ENERGY= 619.0 kJ/mol
CONNECTIONS:
o DDC277 o DDC276
[ TS616 ]
C1 ENERGY= 622.6 kJ/mol
CONNECTIONS:
o DDC279 o DDC278
[ TS617 ]
C1 ENERGY= 622.7 kJ/mol
CONNECTIONS:
o DDC281 o DDC280
[ TS618 ]
Cs ENERGY= 626.0 kJ/mol
CONNECTIONS:
o DDC283 o DDC282
[ TS619 ]
C1 ENERGY= 640.4 kJ/mol
CONNECTIONS:
o DDC285 o DDC284
[ TS620 ]
C1 ENERGY= 641.5 kJ/mol
CONNECTIONS:
o DDC287 o DDC286
[ TS621 ]
C1 ENERGY= 649.3 kJ/mol
CONNECTIONS:
o DDC289 o DDC288
[ TS622 ]
C1 ENERGY= 652.2 kJ/mol
CONNECTIONS:
o DDC291 o DDC290
[ TS623 ]
C1 ENERGY= 652.3 kJ/mol
CONNECTIONS:
o DDC293 o DDC292
[ TS624 ]
C1 ENERGY= 659.2 kJ/mol
CONNECTIONS:
o DDC295 o DDC294
[ TS625 ]
C1 ENERGY= 659.5 kJ/mol
CONNECTIONS:
o DDC297 o DDC296
[ TS626 ]
C1 ENERGY= 662.7 kJ/mol
CONNECTIONS:
o DDC299 o DDC298
[ TS627 ]
C1 ENERGY= 674.7 kJ/mol
CONNECTIONS:
o DDC301 o DDC300
[ TS628 ]
C1 ENERGY= 683.2 kJ/mol
CONNECTIONS:
o DDC303 o DDC302
[ TS629 ]
C1 ENERGY= 683.5 kJ/mol
CONNECTIONS:
o DDC305 o DDC304
[ TS630 ]
C1 ENERGY= 713.9 kJ/mol
CONNECTIONS:
o DDC307 o DDC306
[ TS631 ]
C1 ENERGY= 715.2 kJ/mol
CONNECTIONS:
o DDC309 o DDC308
[ TS632 ]
C1 ENERGY= 735.3 kJ/mol
CONNECTIONS:
o DDC311 o DDC310
[ TS633 ]
C1 ENERGY= 737.2 kJ/mol
CONNECTIONS:
o DDC313 o DDC312
[ TS634 ]
C1 ENERGY= 739.2 kJ/mol
CONNECTIONS:
o DDC315 o DDC314
[ TS635 ]
C1 ENERGY= 757.0 kJ/mol
CONNECTIONS:
o DDC317 o DDC316
[ TS636 ]
C1 ENERGY= 768.1 kJ/mol
CONNECTIONS:
o DDC319 o DDC318
[ TS637 ]
C1 ENERGY= 781.3 kJ/mol
CONNECTIONS:
o DDC321 o DDC320
[ TS638 ]
C1 ENERGY= 781.3 kJ/mol
CONNECTIONS:
o DDC323 o DDC322
[ TS639 ]
C1 ENERGY= 804.1 kJ/mol
CONNECTIONS:
o DDC325 o DDC324
[ TS640 ]
C2 ENERGY= 809.9 kJ/mol
CONNECTIONS:
o DDC327 o DDC326
[ TS641 ]
C1 ENERGY= 814.6 kJ/mol
CONNECTIONS:
o DDC329 o DDC328
[ TS642 ]
C1 ENERGY= 818.7 kJ/mol
CONNECTIONS:
o DDC331 o DDC330
[ TS643 ]
C1 ENERGY= 821.4 kJ/mol
CONNECTIONS:
o DDC333 o DDC332
[ TS644 ]
Cs ENERGY= 823.9 kJ/mol
CONNECTIONS:
o DDC335 o DDC334
[ TS645 ]
C1 ENERGY= 831.7 kJ/mol
CONNECTIONS:
o DDC337 o DDC336
[ TS646 ]
C1 ENERGY= 838.6 kJ/mol
CONNECTIONS:
o DDC339 o DDC338
[ TS647 ]
Cs ENERGY= 852.4 kJ/mol
CONNECTIONS:
o DDC341 o DDC340
[ TS648 ]
C1 ENERGY= 869.8 kJ/mol
CONNECTIONS:
o DDC343 o DDC342
[ TS649 ]
C1 ENERGY= 885.6 kJ/mol
CONNECTIONS:
o DDC345 o DDC344
[ TS650 ]
Cs ENERGY= 885.8 kJ/mol
CONNECTIONS:
o DDC347 o DDC346
[ TS651 ]
Cs ENERGY= 886.7 kJ/mol
CONNECTIONS:
o DDC349 o DDC348
[ TS652 ]
Cs ENERGY= 887.1 kJ/mol
CONNECTIONS:
o DDC351 o DDC350
[ TS653 ]
C1 ENERGY= 890.3 kJ/mol
CONNECTIONS:
o DDC353 o DDC352
[ TS654 ]
Cs ENERGY= 892.7 kJ/mol
CONNECTIONS:
o DDC355 o DDC354
[ TS655 ]
C1 ENERGY= 906.3 kJ/mol
CONNECTIONS:
o DDC357 o DDC356
[ TS656 ]
C1 ENERGY= 916.2 kJ/mol
CONNECTIONS:
o DDC359 o DDC358
[ TS657 ]
Cs ENERGY= 917.7 kJ/mol
CONNECTIONS:
o DDC361 o DDC360
[ TS658 ]
C1 ENERGY= 930.9 kJ/mol
CONNECTIONS:
o DDC363 o DDC362
[ TS659 ]
C1 ENERGY= 949.3 kJ/mol
CONNECTIONS:
o DDC365 o DDC364
[ TS660 ]
C1 ENERGY= 959.6 kJ/mol
CONNECTIONS:
o DDC367 o DDC366
[ TS661 ]
C1 ENERGY= 968.4 kJ/mol
CONNECTIONS:
o DDC369 o DDC368
[ TS662 ]
C1 ENERGY= 976.8 kJ/mol
CONNECTIONS:
o DDC371 o DDC370
[ TS663 ]
C1 ENERGY= 977.9 kJ/mol
CONNECTIONS:
o DDC373 o DDC372
[ TS664 ]
C1 ENERGY= 982.9 kJ/mol
CONNECTIONS:
o DDC375 o DDC374
[ TS665 ]
C1 ENERGY= 986.2 kJ/mol
CONNECTIONS:
o DDC377 o DDC376
[ TS666 ]
C1 ENERGY= 986.2 kJ/mol
CONNECTIONS:
o DDC379 o DDC378
[ TS667 ]
C1 ENERGY= 986.4 kJ/mol
CONNECTIONS:
o DDC381 o DDC380
[ TS668 ]
Cs ENERGY= 990.9 kJ/mol
CONNECTIONS:
o DDC383 o DDC382
[ TS669 ]
C1 ENERGY= 994.7 kJ/mol
CONNECTIONS:
o DDC385 o DDC384
[ TS670 ]
C1 ENERGY= 998.2 kJ/mol
CONNECTIONS:
o DDC387 o DDC386
[ TS671 ]
C1 ENERGY= 1008.4 kJ/mol
CONNECTIONS:
o DDC389 o DDC388
[ TS672 ]
C1 ENERGY= 1010.9 kJ/mol
CONNECTIONS:
o DDC391 o DDC390
[ TS673 ]
C1 ENERGY= 1014.7 kJ/mol
CONNECTIONS:
o DDC393 o DDC392
[ TS674 ]
Cs ENERGY= 1020.8 kJ/mol
CONNECTIONS:
o DDC395 o DDC394
[ TS675 ]
Cs ENERGY= 1064.1 kJ/mol
CONNECTIONS:
o DDC397 o DDC396
[ TS676 ]
C1 ENERGY= 1086.0 kJ/mol
CONNECTIONS:
o DDC399 o DDC398
[ TS677 ]
C1 ENERGY= 1102.4 kJ/mol
CONNECTIONS:
o DDC401 o DDC400
[ TS678 ]
Cs ENERGY= 1113.8 kJ/mol
CONNECTIONS:
o DDC403 o DDC402
[ TS679 ]
Cs ENERGY= 1159.0 kJ/mol
CONNECTIONS:
o DDC405 o DDC404
[ TS680 ]
C1 ENERGY= 1166.8 kJ/mol
CONNECTIONS:
o DDC407 o DDC406
[ TS681 ]
C1 ENERGY= 1201.6 kJ/mol
CONNECTIONS:
o DDC409 o DDC408
[ TS682 ]
C1 ENERGY= 1210.8 kJ/mol
CONNECTIONS:
o DDC411 o DDC410
[ TS683 ]
C1 ENERGY= 1239.0 kJ/mol
CONNECTIONS:
o DDC413 o DDC412
[ DDC0 ]
ENERGY= 191.7 kJ/mol
CONNECTIONS:
o TS10 o EQ0
[ DDC1 ]
ENERGY= 477.7 kJ/mol
CONNECTIONS:
o TS11 o EQ0
[ DDC2 ]
ENERGY= 455.8 kJ/mol
CONNECTIONS:
o TS12 o EQ0
[ DDC3 ]
ENERGY= 99.0 kJ/mol
CONNECTIONS:
o TS13 o EQ0
[ DDC4 ]
ENERGY= 504.6 kJ/mol
CONNECTIONS:
o TS20 o EQ1
[ DDC5 ]
ENERGY= 103.2 kJ/mol
CONNECTIONS:
o TS27 o EQ2
[ DDC6 ]
ENERGY= 214.0 kJ/mol
CONNECTIONS:
o TS28 o EQ2
[ DDC7 ]
ENERGY= 460.0 kJ/mol
CONNECTIONS:
o TS29 o EQ2
[ DDC8 ]
ENERGY= 456.4 kJ/mol
CONNECTIONS:
o TS30 o EQ2
[ DDC9 ]
ENERGY= -17.8 kJ/mol
CONNECTIONS:
o TS34 o EQ3
[ DDC10 ]
ENERGY= 457.4 kJ/mol
CONNECTIONS:
o TS35 o EQ3
[ DDC11 ]
ENERGY= 436.6 kJ/mol
CONNECTIONS:
o TS36 o EQ3
[ DDC12 ]
ENERGY= 467.6 kJ/mol
CONNECTIONS:
o TS37 o EQ3
[ DDC13 ]
ENERGY= 379.7 kJ/mol
CONNECTIONS:
o TS55 o EQ4
[ DDC14 ]
ENERGY= 437.7 kJ/mol
CONNECTIONS:
o TS56 o EQ4
[ DDC15 ]
ENERGY= 467.8 kJ/mol
CONNECTIONS:
o TS57 o EQ4
[ DDC16 ]
ENERGY= 149.5 kJ/mol
CONNECTIONS:
o TS58 o EQ4
[ DDC17 ]
ENERGY= 621.3 kJ/mol
CONNECTIONS:
o TS59 o EQ4
[ DDC18 ]
ENERGY= 442.8 kJ/mol
CONNECTIONS:
o TS65 o EQ5
[ DDC19 ]
ENERGY= 454.7 kJ/mol
CONNECTIONS:
o TS66 o EQ5
[ DDC20 ]
ENERGY= 245.0 kJ/mol
CONNECTIONS:
o TS67 o EQ5
[ DDC21 ]
ENERGY= 459.3 kJ/mol
CONNECTIONS:
o TS79 o EQ6
[ DDC22 ]
ENERGY= 452.8 kJ/mol
CONNECTIONS:
o TS80 o EQ6
[ DDC23 ]
ENERGY= 197.1 kJ/mol
CONNECTIONS:
o TS81 o EQ6
[ DDC24 ]
ENERGY= 414.5 kJ/mol
CONNECTIONS:
o TS82 o EQ6
[ DDC25 ]
ENERGY= 127.3 kJ/mol
CONNECTIONS:
o TS83 o EQ6
[ DDC26 ]
ENERGY= 221.9 kJ/mol
CONNECTIONS:
o TS84 o EQ6
[ DDC27 ]
ENERGY= 247.1 kJ/mol
CONNECTIONS:
o TS85 o EQ6
[ DDC28 ]
ENERGY= 621.1 kJ/mol
CONNECTIONS:
o TS86 o EQ6
[ DDC29 ]
ENERGY= 365.8 kJ/mol
CONNECTIONS:
o TS93 o EQ7
[ DDC30 ]
ENERGY= 183.8 kJ/mol
CONNECTIONS:
o TS104 o EQ8
[ DDC31 ]
ENERGY= 435.0 kJ/mol
CONNECTIONS:
o TS105 o EQ8
[ DDC32 ]
ENERGY= 600.6 kJ/mol
CONNECTIONS:
o TS106 o EQ8
[ DDC33 ]
ENERGY= 402.1 kJ/mol
CONNECTIONS:
o TS107 o EQ8
[ DDC34 ]
ENERGY= 398.2 kJ/mol
CONNECTIONS:
o TS115 o EQ10
[ DDC35 ]
ENERGY= 180.9 kJ/mol
CONNECTIONS:
o TS127 o EQ11
[ DDC36 ]
ENERGY= 469.8 kJ/mol
CONNECTIONS:
o TS128 o EQ11
[ DDC37 ]
ENERGY= 624.0 kJ/mol
CONNECTIONS:
o TS129 o EQ11
[ DDC38 ]
ENERGY= 498.2 kJ/mol
CONNECTIONS:
o TS130 o EQ11
[ DDC39 ]
ENERGY= 379.2 kJ/mol
CONNECTIONS:
o TS131 o EQ11
[ DDC40 ]
ENERGY= 554.7 kJ/mol
CONNECTIONS:
o TS143 o EQ12
[ DDC41 ]
ENERGY= 458.5 kJ/mol
CONNECTIONS:
o TS144 o EQ12
[ DDC42 ]
ENERGY= 497.3 kJ/mol
CONNECTIONS:
o TS145 o EQ12
[ DDC43 ]
ENERGY= 504.3 kJ/mol
CONNECTIONS:
o TS151 o EQ13
[ DDC44 ]
ENERGY= 356.2 kJ/mol
CONNECTIONS:
o TS152 o EQ13
[ DDC45 ]
ENERGY= 613.3 kJ/mol
CONNECTIONS:
o TS157 o EQ15
[ DDC46 ]
ENERGY= 423.5 kJ/mol
CONNECTIONS:
o TS167 o EQ17
[ DDC47 ]
ENERGY= 413.0 kJ/mol
CONNECTIONS:
o TS168 o EQ17
[ DDC48 ]
ENERGY= 426.5 kJ/mol
CONNECTIONS:
o TS169 o EQ17
[ DDC49 ]
ENERGY= 484.5 kJ/mol
CONNECTIONS:
o TS170 o EQ17
[ DDC50 ]
ENERGY= 519.8 kJ/mol
CONNECTIONS:
o TS171 o EQ17
[ DDC51 ]
ENERGY= 742.1 kJ/mol
CONNECTIONS:
o TS172 o EQ17
[ DDC52 ]
ENERGY= 430.9 kJ/mol
CONNECTIONS:
o TS181 o EQ18
[ DDC53 ]
ENERGY= 404.0 kJ/mol
CONNECTIONS:
o TS182 o EQ18
[ DDC54 ]
ENERGY= 448.9 kJ/mol
CONNECTIONS:
o TS183 o EQ18
[ DDC55 ]
ENERGY= 519.3 kJ/mol
CONNECTIONS:
o TS184 o EQ18
[ DDC56 ]
ENERGY= 747.1 kJ/mol
CONNECTIONS:
o TS185 o EQ18
[ DDC57 ]
ENERGY= 452.1 kJ/mol
CONNECTIONS:
o TS186 o EQ19
[ DDC58 ]
ENERGY= 473.0 kJ/mol
CONNECTIONS:
o TS187 o EQ19
[ DDC59 ]
ENERGY= 452.3 kJ/mol
CONNECTIONS:
o TS188 o EQ19
[ DDC60 ]
ENERGY= 430.1 kJ/mol
CONNECTIONS:
o TS189 o EQ19
[ DDC61 ]
ENERGY= 599.9 kJ/mol
CONNECTIONS:
o TS194 o EQ20
[ DDC62 ]
ENERGY= 622.2 kJ/mol
CONNECTIONS:
o TS195 o EQ20
[ DDC63 ]
ENERGY= 628.7 kJ/mol
CONNECTIONS:
o TS196 o EQ20
[ DDC64 ]
ENERGY= 100.1 kJ/mol
CONNECTIONS:
o TS199 o EQ21
[ DDC65 ]
ENERGY= 632.3 kJ/mol
CONNECTIONS:
o TS200 o EQ21
[ DDC66 ]
ENERGY= 631.7 kJ/mol
CONNECTIONS:
o TS201 o EQ21
[ DDC67 ]
ENERGY= 114.2 kJ/mol
CONNECTIONS:
o TS205 o EQ23
[ DDC68 ]
ENERGY= 446.8 kJ/mol
CONNECTIONS:
o TS206 o EQ23
[ DDC69 ]
ENERGY= 643.8 kJ/mol
CONNECTIONS:
o TS207 o EQ23
[ DDC70 ]
ENERGY= 659.3 kJ/mol
CONNECTIONS:
o TS208 o EQ23
[ DDC71 ]
ENERGY= 243.1 kJ/mol
CONNECTIONS:
o TS210 o EQ24
[ DDC72 ]
ENERGY= -17.3 kJ/mol
CONNECTIONS:
o TS211 o EQ24
[ DDC73 ]
ENERGY= 649.5 kJ/mol
CONNECTIONS:
o TS212 o EQ24
[ DDC74 ]
ENERGY= 629.3 kJ/mol
CONNECTIONS:
o TS213 o EQ24
[ DDC75 ]
ENERGY= 690.6 kJ/mol
CONNECTIONS:
o TS214 o EQ24
[ DDC76 ]
ENERGY= 619.4 kJ/mol
CONNECTIONS:
o TS223 o EQ25
[ DDC77 ]
ENERGY= 425.7 kJ/mol
CONNECTIONS:
o TS224 o EQ25
[ DDC78 ]
ENERGY= 605.9 kJ/mol
CONNECTIONS:
o TS225 o EQ25
[ DDC79 ]
ENERGY= 620.4 kJ/mol
CONNECTIONS:
o TS226 o EQ25
[ DDC80 ]
ENERGY= 979.0 kJ/mol
CONNECTIONS:
o TS227 o EQ25
[ DDC81 ]
ENERGY= 829.3 kJ/mol
CONNECTIONS:
o TS228 o EQ25
[ DDC82 ]
ENERGY= 611.6 kJ/mol
CONNECTIONS:
o TS235 o EQ26
[ DDC83 ]
ENERGY= 496.5 kJ/mol
CONNECTIONS:
o TS236 o EQ26
[ DDC84 ]
ENERGY= 432.0 kJ/mol
CONNECTIONS:
o TS237 o EQ26
[ DDC85 ]
ENERGY= 1017.1 kJ/mol
CONNECTIONS:
o TS238 o EQ26
[ DDC86 ]
ENERGY= 199.0 kJ/mol
CONNECTIONS:
o TS242 o EQ27
[ DDC87 ]
ENERGY= 440.3 kJ/mol
CONNECTIONS:
o TS243 o EQ27
[ DDC88 ]
ENERGY= 634.7 kJ/mol
CONNECTIONS:
o TS244 o EQ27
[ DDC89 ]
ENERGY= 410.4 kJ/mol
CONNECTIONS:
o TS246 o EQ28
[ DDC90 ]
ENERGY= 457.3 kJ/mol
CONNECTIONS:
o TS249 o EQ29
[ DDC91 ]
ENERGY= 187.5 kJ/mol
CONNECTIONS:
o TS257 o EQ30
[ DDC92 ]
ENERGY= 407.7 kJ/mol
CONNECTIONS:
o TS258 o EQ30
[ DDC93 ]
ENERGY= 428.8 kJ/mol
CONNECTIONS:
o TS259 o EQ30
[ DDC94 ]
ENERGY= 693.4 kJ/mol
CONNECTIONS:
o TS260 o EQ30
[ DDC95 ]
ENERGY= 685.8 kJ/mol
CONNECTIONS:
o TS261 o EQ30
[ DDC96 ]
ENERGY= 634.0 kJ/mol
CONNECTIONS:
o TS262 o EQ30
[ DDC97 ]
ENERGY= 651.7 kJ/mol
CONNECTIONS:
o TS263 o EQ30
[ DDC98 ]
ENERGY= 887.3 kJ/mol
CONNECTIONS:
o TS264 o EQ30
[ DDC99 ]
ENERGY= 365.8 kJ/mol
CONNECTIONS:
o TS267 o EQ31
[ DDC100 ]
ENERGY= 360.0 kJ/mol
CONNECTIONS:
o TS268 o EQ31
[ DDC101 ]
ENERGY= 449.7 kJ/mol
CONNECTIONS:
o TS269 o EQ31
[ DDC102 ]
ENERGY= 131.9 kJ/mol
CONNECTIONS:
o TS270 o EQ31
[ DDC103 ]
ENERGY= 128.4 kJ/mol
CONNECTIONS:
o TS271 o EQ31
[ DDC104 ]
ENERGY= 497.3 kJ/mol
CONNECTIONS:
o TS272 o EQ31
[ DDC105 ]
ENERGY= 432.0 kJ/mol
CONNECTIONS:
o TS277 o EQ32
[ DDC106 ]
ENERGY= 688.3 kJ/mol
CONNECTIONS:
o TS278 o EQ32
[ DDC107 ]
ENERGY= 244.6 kJ/mol
CONNECTIONS:
o TS282 o EQ34
[ DDC108 ]
ENERGY= 173.1 kJ/mol
CONNECTIONS:
o TS283 o EQ34
[ DDC109 ]
ENERGY= 404.9 kJ/mol
CONNECTIONS:
o TS284 o EQ34
[ DDC110 ]
ENERGY= 412.1 kJ/mol
CONNECTIONS:
o TS285 o EQ34
[ DDC111 ]
ENERGY= 464.5 kJ/mol
CONNECTIONS:
o TS286 o EQ34
[ DDC112 ]
ENERGY= 688.8 kJ/mol
CONNECTIONS:
o TS287 o EQ34
[ DDC113 ]
ENERGY= 708.0 kJ/mol
CONNECTIONS:
o TS288 o EQ34
[ DDC114 ]
ENERGY= 641.2 kJ/mol
CONNECTIONS:
o TS289 o EQ34
[ DDC115 ]
ENERGY= 664.5 kJ/mol
CONNECTIONS:
o TS290 o EQ34
[ DDC116 ]
ENERGY= 687.1 kJ/mol
CONNECTIONS:
o TS291 o EQ35
[ DDC117 ]
ENERGY= 643.6 kJ/mol
CONNECTIONS:
o TS292 o EQ35
[ DDC118 ]
ENERGY= 692.5 kJ/mol
CONNECTIONS:
o TS293 o EQ35
[ DDC119 ]
ENERGY= 913.4 kJ/mol
CONNECTIONS:
o TS294 o EQ35
[ DDC120 ]
ENERGY= 909.5 kJ/mol
CONNECTIONS:
o TS300 o EQ36
[ DDC121 ]
ENERGY= 612.6 kJ/mol
CONNECTIONS:
o TS301 o EQ36
[ DDC122 ]
ENERGY= 913.4 kJ/mol
CONNECTIONS:
o TS302 o EQ36
[ DDC123 ]
ENERGY= 606.0 kJ/mol
CONNECTIONS:
o TS303 o EQ36
[ DDC124 ]
ENERGY= 731.3 kJ/mol
CONNECTIONS:
o TS320 o EQ38
[ DDC125 ]
ENERGY= 496.9 kJ/mol
CONNECTIONS:
o TS321 o EQ38
[ DDC126 ]
ENERGY= 865.9 kJ/mol
CONNECTIONS:
o TS322 o EQ38
[ DDC127 ]
ENERGY= 930.6 kJ/mol
CONNECTIONS:
o TS323 o EQ38
[ DDC128 ]
ENERGY= 1002.9 kJ/mol
CONNECTIONS:
o TS324 o EQ38
[ DDC129 ]
ENERGY= 683.0 kJ/mol
CONNECTIONS:
o TS325 o EQ38
[ DDC130 ]
ENERGY= 224.7 kJ/mol
CONNECTIONS:
o TS334 o EQ39
[ DDC131 ]
ENERGY= 735.0 kJ/mol
CONNECTIONS:
o TS335 o EQ39
[ DDC132 ]
ENERGY= 651.9 kJ/mol
CONNECTIONS:
o TS348 o EQ41
[ DDC133 ]
ENERGY= 726.9 kJ/mol
CONNECTIONS:
o TS349 o EQ41
[ DDC134 ]
ENERGY= 872.2 kJ/mol
CONNECTIONS:
o TS350 o EQ41
[ DDC135 ]
ENERGY= 452.6 kJ/mol
CONNECTIONS:
o TS352 o EQ42
[ DDC136 ]
ENERGY= 452.6 kJ/mol
CONNECTIONS:
o TS353 o EQ42
[ DDC137 ]
ENERGY= 255.3 kJ/mol
CONNECTIONS:
o TS354 o EQ42
[ DDC138 ]
ENERGY= 452.6 kJ/mol
CONNECTIONS:
o TS356 o EQ43
[ DDC139 ]
ENERGY= 347.2 kJ/mol
CONNECTIONS:
o TS357 o EQ43
[ DDC140 ]
ENERGY= 253.4 kJ/mol
CONNECTIONS:
o TS358 o EQ43
[ DDC141 ]
ENERGY= 478.3 kJ/mol
CONNECTIONS:
o TS366 o EQ44
[ DDC142 ]
ENERGY= 671.7 kJ/mol
CONNECTIONS:
o TS367 o EQ44
[ DDC143 ]
ENERGY= 485.6 kJ/mol
CONNECTIONS:
o TS375 o EQ46
[ DDC144 ]
ENERGY= 647.6 kJ/mol
CONNECTIONS:
o TS376 o EQ46
[ DDC145 ]
ENERGY= 472.0 kJ/mol
CONNECTIONS:
o TS382 o EQ47
[ DDC146 ]
ENERGY= 476.6 kJ/mol
CONNECTIONS:
o TS383 o EQ47
[ DDC147 ]
ENERGY= 681.9 kJ/mol
CONNECTIONS:
o TS384 o EQ47
[ DDC148 ]
ENERGY= 626.0 kJ/mol
CONNECTIONS:
o TS386 o EQ48
[ DDC149 ]
ENERGY= 983.3 kJ/mol
CONNECTIONS:
o TS387 o EQ48
[ DDC150 ]
ENERGY= 221.0 kJ/mol
CONNECTIONS:
o TS396 o EQ50
[ DDC151 ]
ENERGY= 765.2 kJ/mol
CONNECTIONS:
o TS397 o EQ50
[ DDC152 ]
ENERGY= 856.6 kJ/mol
CONNECTIONS:
o TS398 o EQ50
[ DDC153 ]
ENERGY= 926.1 kJ/mol
CONNECTIONS:
o TS403 o EQ52
[ DDC154 ]
ENERGY= 675.1 kJ/mol
CONNECTIONS:
o TS404 o EQ52
[ DDC155 ]
ENERGY= 620.4 kJ/mol
CONNECTIONS:
o TS412 o EQ53
[ DDC156 ]
ENERGY= 926.1 kJ/mol
CONNECTIONS:
o TS413 o EQ53
[ DDC157 ]
ENERGY= 992.0 kJ/mol
CONNECTIONS:
o TS414 o EQ53
[ DDC158 ]
ENERGY= 600.1 kJ/mol
CONNECTIONS:
o TS415 o EQ53
[ DDC159 ]
ENERGY= 670.9 kJ/mol
CONNECTIONS:
o TS416 o EQ53
[ DDC160 ]
ENERGY= 200.8 kJ/mol
CONNECTIONS:
o TS417 o EQ54
[ DDC161 ]
ENERGY= 610.9 kJ/mol
CONNECTIONS:
o TS418 o EQ54
[ DDC162 ]
ENERGY= 356.4 kJ/mol
CONNECTIONS:
o TS424 o EQ55
[ DDC163 ]
ENERGY= 465.0 kJ/mol
CONNECTIONS:
o TS425 o EQ55
[ DDC164 ]
ENERGY= 733.4 kJ/mol
CONNECTIONS:
o TS429 o EQ56
[ DDC165 ]
ENERGY= 736.2 kJ/mol
CONNECTIONS:
o TS430 o EQ56
[ DDC166 ]
ENERGY= 786.9 kJ/mol
CONNECTIONS:
o TS431 o EQ56
[ DDC167 ]
ENERGY= 771.3 kJ/mol
CONNECTIONS:
o TS432 o EQ56
[ DDC168 ]
ENERGY= 754.4 kJ/mol
CONNECTIONS:
o TS433 o EQ56
[ DDC169 ]
ENERGY= 589.5 kJ/mol
CONNECTIONS:
o TS436 o EQ57
[ DDC170 ]
ENERGY= 353.7 kJ/mol
CONNECTIONS:
o TS440 o EQ58
[ DDC171 ]
ENERGY= 497.8 kJ/mol
CONNECTIONS:
o TS441 o EQ58
[ DDC172 ]
ENERGY= 673.2 kJ/mol
CONNECTIONS:
o TS442 o EQ58
[ DDC173 ]
ENERGY= 674.0 kJ/mol
CONNECTIONS:
o TS443 o EQ58
[ DDC174 ]
ENERGY= 732.6 kJ/mol
CONNECTIONS:
o TS448 o EQ59
[ DDC175 ]
ENERGY= 784.1 kJ/mol
CONNECTIONS:
o TS449 o EQ59
[ DDC176 ]
ENERGY= 1027.2 kJ/mol
CONNECTIONS:
o TS450 o EQ59
[ DDC177 ]
ENERGY= 579.7 kJ/mol
CONNECTIONS:
o TS452 o EQ61
[ DDC178 ]
ENERGY= 583.0 kJ/mol
CONNECTIONS:
o TS453 o EQ61
[ DDC179 ]
ENERGY= 134.7 kJ/mol
CONNECTIONS:
o TS455 o EQ62
[ DDC180 ]
ENERGY= 648.2 kJ/mol
CONNECTIONS:
o TS456 o EQ62
[ DDC181 ]
ENERGY= 614.2 kJ/mol
CONNECTIONS:
o TS457 o EQ62
[ DDC182 ]
ENERGY= 615.9 kJ/mol
CONNECTIONS:
o TS460 o EQ63
[ DDC183 ]
ENERGY= 555.9 kJ/mol
CONNECTIONS:
o TS461 o EQ63
[ DDC184 ]
ENERGY= 420.5 kJ/mol
CONNECTIONS:
o TS462 o EQ63
[ DDC185 ]
ENERGY= 714.5 kJ/mol
CONNECTIONS:
o TS472 o EQ64
[ DDC186 ]
ENERGY= 500.9 kJ/mol
CONNECTIONS:
o TS473 o EQ65
[ DDC187 ]
ENERGY= 897.2 kJ/mol
CONNECTIONS:
o TS484 o EQ66
[ DDC188 ]
ENERGY= 939.2 kJ/mol
CONNECTIONS:
o TS485 o EQ66
[ DDC189 ]
ENERGY= 642.4 kJ/mol
CONNECTIONS:
o TS489 o EQ67
[ DDC190 ]
ENERGY= 242.9 kJ/mol
CONNECTIONS:
o TS493 o EQ68
[ DDC191 ]
ENERGY= 612.4 kJ/mol
CONNECTIONS:
o TS494 o EQ68
[ DDC192 ]
ENERGY= 936.4 kJ/mol
CONNECTIONS:
o TS495 o EQ68
[ DDC193 ]
ENERGY= 945.5 kJ/mol
CONNECTIONS:
o TS496 o EQ68
[ DDC194 ]
ENERGY= 607.2 kJ/mol
CONNECTIONS:
o TS506 o EQ69
[ DDC195 ]
ENERGY= 648.2 kJ/mol
CONNECTIONS:
o TS512 o EQ70
[ DDC196 ]
ENERGY= 1022.7 kJ/mol
CONNECTIONS:
o TS513 o EQ70
[ DDC197 ]
ENERGY= 725.0 kJ/mol
CONNECTIONS:
o TS519 o EQ71
[ DDC198 ]
ENERGY= 1006.7 kJ/mol
CONNECTIONS:
o TS520 o EQ71
[ DDC199 ]
ENERGY= 597.7 kJ/mol
CONNECTIONS:
o TS527 o EQ72
[ DDC200 ]
ENERGY= 605.6 kJ/mol
CONNECTIONS:
o TS528 o EQ72
[ DDC201 ]
ENERGY= 739.2 kJ/mol
CONNECTIONS:
o TS533 o EQ73
[ DDC202 ]
ENERGY= 750.5 kJ/mol
CONNECTIONS:
o TS534 o EQ73
[ DDC203 ]
ENERGY= 689.7 kJ/mol
CONNECTIONS:
o TS535 o EQ74
[ DDC204 ]
ENERGY= 738.4 kJ/mol
CONNECTIONS:
o TS536 o EQ74
[ DDC205 ]
ENERGY= 748.3 kJ/mol
CONNECTIONS:
o TS537 o EQ74
[ DDC206 ]
ENERGY= 740.0 kJ/mol
CONNECTIONS:
o TS546 o EQ77
[ DDC207 ]
ENERGY= 920.9 kJ/mol
CONNECTIONS:
o TS547 o EQ77
[ DDC208 ]
ENERGY= 983.7 kJ/mol
CONNECTIONS:
o TS548 o EQ77
[ DDC209 ]
ENERGY= 464.4 kJ/mol
CONNECTIONS:
o TS550 o EQ78
[ DDC210 ]
ENERGY= 464.5 kJ/mol
CONNECTIONS:
o TS551 o EQ78
[ DDC211 ]
ENERGY= 530.4 kJ/mol
CONNECTIONS:
o TS552 o EQ78
[ DDC212 ]
ENERGY= 806.5 kJ/mol
CONNECTIONS:
o TS555 o EQ79
[ DDC213 ]
ENERGY= 697.4 kJ/mol
CONNECTIONS:
o TS558 o EQ80
[ DDC214 ]
ENERGY= 1241.9 kJ/mol
CONNECTIONS:
o TS559 o EQ80
[ DDC215 ]
ENERGY= 1259.4 kJ/mol
CONNECTIONS:
o TS560 o EQ80
[ DDC216 ]
ENERGY= 1000.8 kJ/mol
CONNECTIONS:
o TS562 o EQ81
[ DDC217 ]
ENERGY= 1086.0 kJ/mol
CONNECTIONS:
o TS563 o EQ81
[ DDC218 ]
ENERGY= 1257.9 kJ/mol
CONNECTIONS:
o TS564 o EQ81
[ DDC219 ]
ENERGY= 1303.1 kJ/mol
CONNECTIONS:
o TS565 o EQ81
[ DDC220 ]
ENERGY= 765.0 kJ/mol
CONNECTIONS:
o TS567 o EQ82
[ DDC221 ]
ENERGY= 685.3 kJ/mol
CONNECTIONS:
o TS577 o EQ83
[ DDC222 ]
ENERGY= 628.7 kJ/mol
CONNECTIONS:
o TS578 o EQ83
[ DDC223 ]
ENERGY= 916.0 kJ/mol
CONNECTIONS:
o TS579 o EQ83
[ DDC224 ]
ENERGY= 618.7 kJ/mol
CONNECTIONS:
o TS584 o EQ84
[ DDC225 ]
ENERGY= 927.4 kJ/mol
CONNECTIONS:
o TS587 o EQ86
[ DDC226 ]
ENERGY= 998.6 kJ/mol
CONNECTIONS:
o TS589 o EQ89
[ DDC227 ]
ENERGY= 992.5 kJ/mol
CONNECTIONS:
o TS590 o EQ89
[ DDC228 ]
ENERGY= 338.0 kJ/mol
CONNECTIONS:
o TS591 o DDC229
[ DDC229 ]
ENERGY= 338.0 kJ/mol
CONNECTIONS:
o TS591 o DDC228
[ DDC230 ]
ENERGY= 375.7 kJ/mol
CONNECTIONS:
o TS592 o DDC231
[ DDC231 ]
ENERGY= 379.7 kJ/mol
CONNECTIONS:
o TS592 o DDC230
[ DDC232 ]
ENERGY= 374.6 kJ/mol
CONNECTIONS:
o TS593 o DDC233
[ DDC233 ]
ENERGY= 399.5 kJ/mol
CONNECTIONS:
o TS593 o DDC232
[ DDC234 ]
ENERGY= 423.6 kJ/mol
CONNECTIONS:
o TS594 o DDC235
[ DDC235 ]
ENERGY= 423.6 kJ/mol
CONNECTIONS:
o TS594 o DDC234
[ DDC236 ]
ENERGY= 429.4 kJ/mol
CONNECTIONS:
o TS595 o DDC237
[ DDC237 ]
ENERGY= 423.4 kJ/mol
CONNECTIONS:
o TS595 o DDC236
[ DDC238 ]
ENERGY= 438.8 kJ/mol
CONNECTIONS:
o TS596 o DDC239
[ DDC239 ]
ENERGY= 440.7 kJ/mol
CONNECTIONS:
o TS596 o DDC238
[ DDC240 ]
ENERGY= 453.5 kJ/mol
CONNECTIONS:
o TS597 o DDC241
[ DDC241 ]
ENERGY= 456.4 kJ/mol
CONNECTIONS:
o TS597 o DDC240
[ DDC242 ]
ENERGY= 466.2 kJ/mol
CONNECTIONS:
o TS598 o DDC243
[ DDC243 ]
ENERGY= 466.1 kJ/mol
CONNECTIONS:
o TS598 o DDC242
[ DDC244 ]
ENERGY= 467.2 kJ/mol
CONNECTIONS:
o TS599 o DDC245
[ DDC245 ]
ENERGY= 183.5 kJ/mol
CONNECTIONS:
o TS599 o DDC244
[ DDC246 ]
ENERGY= 191.7 kJ/mol
CONNECTIONS:
o TS600 o DDC247
[ DDC247 ]
ENERGY= 315.8 kJ/mol
CONNECTIONS:
o TS600 o DDC246
[ DDC248 ]
ENERGY= 51.9 kJ/mol
CONNECTIONS:
o TS601 o DDC249
[ DDC249 ]
ENERGY= 311.2 kJ/mol
CONNECTIONS:
o TS601 o DDC248
[ DDC250 ]
ENERGY= 416.1 kJ/mol
CONNECTIONS:
o TS602 o DDC251
[ DDC251 ]
ENERGY= 108.3 kJ/mol
CONNECTIONS:
o TS602 o DDC250
[ DDC252 ]
ENERGY= 88.2 kJ/mol
CONNECTIONS:
o TS603 o DDC253
[ DDC253 ]
ENERGY= 445.1 kJ/mol
CONNECTIONS:
o TS603 o DDC252
[ DDC254 ]
ENERGY= 455.0 kJ/mol
CONNECTIONS:
o TS604 o DDC255
[ DDC255 ]
ENERGY= 458.9 kJ/mol
CONNECTIONS:
o TS604 o DDC254
[ DDC256 ]
ENERGY= 495.9 kJ/mol
CONNECTIONS:
o TS605 o DDC257
[ DDC257 ]
ENERGY= 365.0 kJ/mol
CONNECTIONS:
o TS605 o DDC256
[ DDC258 ]
ENERGY= 478.1 kJ/mol
CONNECTIONS:
o TS606 o DDC259
[ DDC259 ]
ENERGY= 478.0 kJ/mol
CONNECTIONS:
o TS606 o DDC258
[ DDC260 ]
ENERGY= 506.0 kJ/mol
CONNECTIONS:
o TS607 o DDC261
[ DDC261 ]
ENERGY= 505.0 kJ/mol
CONNECTIONS:
o TS607 o DDC260
[ DDC262 ]
ENERGY= 111.7 kJ/mol
CONNECTIONS:
o TS608 o DDC263
[ DDC263 ]
ENERGY= -41.0 kJ/mol
CONNECTIONS:
o TS608 o DDC262
[ DDC264 ]
ENERGY= 475.8 kJ/mol
CONNECTIONS:
o TS609 o DDC265
[ DDC265 ]
ENERGY= 475.8 kJ/mol
CONNECTIONS:
o TS609 o DDC264
[ DDC266 ]
ENERGY= 107.0 kJ/mol
CONNECTIONS:
o TS610 o DDC267
[ DDC267 ]
ENERGY= 435.7 kJ/mol
CONNECTIONS:
o TS610 o DDC266
[ DDC268 ]
ENERGY= 221.8 kJ/mol
CONNECTIONS:
o TS611 o DDC269
[ DDC269 ]
ENERGY= 374.7 kJ/mol
CONNECTIONS:
o TS611 o DDC268
[ DDC270 ]
ENERGY= 199.4 kJ/mol
CONNECTIONS:
o TS612 o DDC271
[ DDC271 ]
ENERGY= 385.7 kJ/mol
CONNECTIONS:
o TS612 o DDC270
[ DDC272 ]
ENERGY= 497.1 kJ/mol
CONNECTIONS:
o TS613 o DDC273
[ DDC273 ]
ENERGY= 452.4 kJ/mol
CONNECTIONS:
o TS613 o DDC272
[ DDC274 ]
ENERGY= 612.3 kJ/mol
CONNECTIONS:
o TS614 o DDC275
[ DDC275 ]
ENERGY= 613.4 kJ/mol
CONNECTIONS:
o TS614 o DDC274
[ DDC276 ]
ENERGY= 612.9 kJ/mol
CONNECTIONS:
o TS615 o DDC277
[ DDC277 ]
ENERGY= 598.2 kJ/mol
CONNECTIONS:
o TS615 o DDC276
[ DDC278 ]
ENERGY= 616.2 kJ/mol
CONNECTIONS:
o TS616 o DDC279
[ DDC279 ]
ENERGY= 610.7 kJ/mol
CONNECTIONS:
o TS616 o DDC278
[ DDC280 ]
ENERGY= 410.5 kJ/mol
CONNECTIONS:
o TS617 o DDC281
[ DDC281 ]
ENERGY= 618.7 kJ/mol
CONNECTIONS:
o TS617 o DDC280
[ DDC282 ]
ENERGY= 117.5 kJ/mol
CONNECTIONS:
o TS618 o DDC283
[ DDC283 ]
ENERGY= 441.4 kJ/mol
CONNECTIONS:
o TS618 o DDC282
[ DDC284 ]
ENERGY= 639.5 kJ/mol
CONNECTIONS:
o TS619 o DDC285
[ DDC285 ]
ENERGY= 639.5 kJ/mol
CONNECTIONS:
o TS619 o DDC284
[ DDC286 ]
ENERGY= 641.1 kJ/mol
CONNECTIONS:
o TS620 o DDC287
[ DDC287 ]
ENERGY= 641.4 kJ/mol
CONNECTIONS:
o TS620 o DDC286
[ DDC288 ]
ENERGY= 497.7 kJ/mol
CONNECTIONS:
o TS621 o DDC289
[ DDC289 ]
ENERGY= 446.7 kJ/mol
CONNECTIONS:
o TS621 o DDC288
[ DDC290 ]
ENERGY= 367.9 kJ/mol
CONNECTIONS:
o TS622 o DDC291
[ DDC291 ]
ENERGY= 496.7 kJ/mol
CONNECTIONS:
o TS622 o DDC290
[ DDC292 ]
ENERGY= 364.6 kJ/mol
CONNECTIONS:
o TS623 o DDC293
[ DDC293 ]
ENERGY= 501.0 kJ/mol
CONNECTIONS:
o TS623 o DDC292
[ DDC294 ]
ENERGY= 646.8 kJ/mol
CONNECTIONS:
o TS624 o DDC295
[ DDC295 ]
ENERGY= 656.6 kJ/mol
CONNECTIONS:
o TS624 o DDC294
[ DDC296 ]
ENERGY= 657.1 kJ/mol
CONNECTIONS:
o TS625 o DDC297
[ DDC297 ]
ENERGY= 646.7 kJ/mol
CONNECTIONS:
o TS625 o DDC296
[ DDC298 ]
ENERGY= 610.2 kJ/mol
CONNECTIONS:
o TS626 o DDC299
[ DDC299 ]
ENERGY= 610.5 kJ/mol
CONNECTIONS:
o TS626 o DDC298
[ DDC300 ]
ENERGY= 606.8 kJ/mol
CONNECTIONS:
o TS627 o DDC301
[ DDC301 ]
ENERGY= 614.3 kJ/mol
CONNECTIONS:
o TS627 o DDC300
[ DDC302 ]
ENERGY= 682.8 kJ/mol
CONNECTIONS:
o TS628 o DDC303
[ DDC303 ]
ENERGY= 680.0 kJ/mol
CONNECTIONS:
o TS628 o DDC302
[ DDC304 ]
ENERGY= 677.8 kJ/mol
CONNECTIONS:
o TS629 o DDC305
[ DDC305 ]
ENERGY= 682.8 kJ/mol
CONNECTIONS:
o TS629 o DDC304
[ DDC306 ]
ENERGY= 390.0 kJ/mol
CONNECTIONS:
o TS630 o DDC307
[ DDC307 ]
ENERGY= 456.2 kJ/mol
CONNECTIONS:
o TS630 o DDC306
[ DDC308 ]
ENERGY= 250.3 kJ/mol
CONNECTIONS:
o TS631 o DDC309
[ DDC309 ]
ENERGY= 451.7 kJ/mol
CONNECTIONS:
o TS631 o DDC308
[ DDC310 ]
ENERGY= 594.8 kJ/mol
CONNECTIONS:
o TS632 o DDC311
[ DDC311 ]
ENERGY= 600.5 kJ/mol
CONNECTIONS:
o TS632 o DDC310
[ DDC312 ]
ENERGY= 481.1 kJ/mol
CONNECTIONS:
o TS633 o DDC313
[ DDC313 ]
ENERGY= 598.5 kJ/mol
CONNECTIONS:
o TS633 o DDC312
[ DDC314 ]
ENERGY= 467.7 kJ/mol
CONNECTIONS:
o TS634 o DDC315
[ DDC315 ]
ENERGY= 553.1 kJ/mol
CONNECTIONS:
o TS634 o DDC314
[ DDC316 ]
ENERGY= 483.9 kJ/mol
CONNECTIONS:
o TS635 o DDC317
[ DDC317 ]
ENERGY= 628.8 kJ/mol
CONNECTIONS:
o TS635 o DDC316
[ DDC318 ]
ENERGY= 653.3 kJ/mol
CONNECTIONS:
o TS636 o DDC319
[ DDC319 ]
ENERGY= 345.5 kJ/mol
CONNECTIONS:
o TS636 o DDC318
[ DDC320 ]
ENERGY= 427.5 kJ/mol
CONNECTIONS:
o TS637 o DDC321
[ DDC321 ]
ENERGY= 505.6 kJ/mol
CONNECTIONS:
o TS637 o DDC320
[ DDC322 ]
ENERGY= 418.9 kJ/mol
CONNECTIONS:
o TS638 o DDC323
[ DDC323 ]
ENERGY= 461.4 kJ/mol
CONNECTIONS:
o TS638 o DDC322
[ DDC324 ]
ENERGY= 632.5 kJ/mol
CONNECTIONS:
o TS639 o DDC325
[ DDC325 ]
ENERGY= 469.2 kJ/mol
CONNECTIONS:
o TS639 o DDC324
[ DDC326 ]
ENERGY= 801.4 kJ/mol
CONNECTIONS:
o TS640 o DDC327
[ DDC327 ]
ENERGY= 801.4 kJ/mol
CONNECTIONS:
o TS640 o DDC326
[ DDC328 ]
ENERGY= 813.8 kJ/mol
CONNECTIONS:
o TS641 o DDC329
[ DDC329 ]
ENERGY= 813.6 kJ/mol
CONNECTIONS:
o TS641 o DDC328
[ DDC330 ]
ENERGY= 629.5 kJ/mol
CONNECTIONS:
o TS642 o DDC331
[ DDC331 ]
ENERGY= 630.0 kJ/mol
CONNECTIONS:
o TS642 o DDC330
[ DDC332 ]
ENERGY= 820.4 kJ/mol
CONNECTIONS:
o TS643 o DDC333
[ DDC333 ]
ENERGY= 821.3 kJ/mol
CONNECTIONS:
o TS643 o DDC332
[ DDC334 ]
ENERGY= 823.1 kJ/mol
CONNECTIONS:
o TS644 o DDC335
[ DDC335 ]
ENERGY= 819.6 kJ/mol
CONNECTIONS:
o TS644 o DDC334
[ DDC336 ]
ENERGY= 830.5 kJ/mol
CONNECTIONS:
o TS645 o DDC337
[ DDC337 ]
ENERGY= 812.8 kJ/mol
CONNECTIONS:
o TS645 o DDC336
[ DDC338 ]
ENERGY= 730.1 kJ/mol
CONNECTIONS:
o TS646 o DDC339
[ DDC339 ]
ENERGY= 580.3 kJ/mol
CONNECTIONS:
o TS646 o DDC338
[ DDC340 ]
ENERGY= 458.6 kJ/mol
CONNECTIONS:
o TS647 o DDC341
[ DDC341 ]
ENERGY= 441.9 kJ/mol
CONNECTIONS:
o TS647 o DDC340
[ DDC342 ]
ENERGY= 453.8 kJ/mol
CONNECTIONS:
o TS648 o DDC343
[ DDC343 ]
ENERGY= 608.4 kJ/mol
CONNECTIONS:
o TS648 o DDC342
[ DDC344 ]
ENERGY= 882.2 kJ/mol
CONNECTIONS:
o TS649 o DDC345
[ DDC345 ]
ENERGY= 877.3 kJ/mol
CONNECTIONS:
o TS649 o DDC344
[ DDC346 ]
ENERGY= 592.4 kJ/mol
CONNECTIONS:
o TS650 o DDC347
[ DDC347 ]
ENERGY= 354.4 kJ/mol
CONNECTIONS:
o TS650 o DDC346
[ DDC348 ]
ENERGY= 660.8 kJ/mol
CONNECTIONS:
o TS651 o DDC349
[ DDC349 ]
ENERGY= 880.4 kJ/mol
CONNECTIONS:
o TS651 o DDC348
[ DDC350 ]
ENERGY= 855.6 kJ/mol
CONNECTIONS:
o TS652 o DDC351
[ DDC351 ]
ENERGY= 855.6 kJ/mol
CONNECTIONS:
o TS652 o DDC350
[ DDC352 ]
ENERGY= 683.7 kJ/mol
CONNECTIONS:
o TS653 o DDC353
[ DDC353 ]
ENERGY= 727.1 kJ/mol
CONNECTIONS:
o TS653 o DDC352
[ DDC354 ]
ENERGY= 883.3 kJ/mol
CONNECTIONS:
o TS654 o DDC355
[ DDC355 ]
ENERGY= 183.6 kJ/mol
CONNECTIONS:
o TS654 o DDC354
[ DDC356 ]
ENERGY= 476.3 kJ/mol
CONNECTIONS:
o TS655 o DDC357
[ DDC357 ]
ENERGY= 490.0 kJ/mol
CONNECTIONS:
o TS655 o DDC356
[ DDC358 ]
ENERGY= 455.9 kJ/mol
CONNECTIONS:
o TS656 o DDC359
[ DDC359 ]
ENERGY= 667.7 kJ/mol
CONNECTIONS:
o TS656 o DDC358
[ DDC360 ]
ENERGY= 906.1 kJ/mol
CONNECTIONS:
o TS657 o DDC361
[ DDC361 ]
ENERGY= 906.2 kJ/mol
CONNECTIONS:
o TS657 o DDC360
[ DDC362 ]
ENERGY= 926.2 kJ/mol
CONNECTIONS:
o TS658 o DDC363
[ DDC363 ]
ENERGY= 926.8 kJ/mol
CONNECTIONS:
o TS658 o DDC362
[ DDC364 ]
ENERGY= 266.9 kJ/mol
CONNECTIONS:
o TS659 o DDC365
[ DDC365 ]
ENERGY= 717.7 kJ/mol
CONNECTIONS:
o TS659 o DDC364
[ DDC366 ]
ENERGY= 954.8 kJ/mol
CONNECTIONS:
o TS660 o DDC367
[ DDC367 ]
ENERGY= 951.3 kJ/mol
CONNECTIONS:
o TS660 o DDC366
[ DDC368 ]
ENERGY= 724.6 kJ/mol
CONNECTIONS:
o TS661 o DDC369
[ DDC369 ]
ENERGY= 631.2 kJ/mol
CONNECTIONS:
o TS661 o DDC368
[ DDC370 ]
ENERGY= 971.6 kJ/mol
CONNECTIONS:
o TS662 o DDC371
[ DDC371 ]
ENERGY= 975.8 kJ/mol
CONNECTIONS:
o TS662 o DDC370
[ DDC372 ]
ENERGY= 916.8 kJ/mol
CONNECTIONS:
o TS663 o DDC373
[ DDC373 ]
ENERGY= 971.2 kJ/mol
CONNECTIONS:
o TS663 o DDC372
[ DDC374 ]
ENERGY= 977.2 kJ/mol
CONNECTIONS:
o TS664 o DDC375
[ DDC375 ]
ENERGY= 754.1 kJ/mol
CONNECTIONS:
o TS664 o DDC374
[ DDC376 ]
ENERGY= 984.0 kJ/mol
CONNECTIONS:
o TS665 o DDC377
[ DDC377 ]
ENERGY= 986.1 kJ/mol
CONNECTIONS:
o TS665 o DDC376
[ DDC378 ]
ENERGY= 986.1 kJ/mol
CONNECTIONS:
o TS666 o DDC379
[ DDC379 ]
ENERGY= 986.1 kJ/mol
CONNECTIONS:
o TS666 o DDC378
[ DDC380 ]
ENERGY= 986.2 kJ/mol
CONNECTIONS:
o TS667 o DDC381
[ DDC381 ]
ENERGY= 979.6 kJ/mol
CONNECTIONS:
o TS667 o DDC380
[ DDC382 ]
ENERGY= 990.9 kJ/mol
CONNECTIONS:
o TS668 o DDC383
[ DDC383 ]
ENERGY= 990.9 kJ/mol
CONNECTIONS:
o TS668 o DDC382
[ DDC384 ]
ENERGY= 992.1 kJ/mol
CONNECTIONS:
o TS669 o DDC385
[ DDC385 ]
ENERGY= 796.3 kJ/mol
CONNECTIONS:
o TS669 o DDC384
[ DDC386 ]
ENERGY= 800.3 kJ/mol
CONNECTIONS:
o TS670 o DDC387
[ DDC387 ]
ENERGY= 989.6 kJ/mol
CONNECTIONS:
o TS670 o DDC386
[ DDC388 ]
ENERGY= 1008.3 kJ/mol
CONNECTIONS:
o TS671 o DDC389
[ DDC389 ]
ENERGY= 1008.0 kJ/mol
CONNECTIONS:
o TS671 o DDC388
[ DDC390 ]
ENERGY= 296.5 kJ/mol
CONNECTIONS:
o TS672 o DDC391
[ DDC391 ]
ENERGY= 1004.4 kJ/mol
CONNECTIONS:
o TS672 o DDC390
[ DDC392 ]
ENERGY= 1013.1 kJ/mol
CONNECTIONS:
o TS673 o DDC393
[ DDC393 ]
ENERGY= 1011.3 kJ/mol
CONNECTIONS:
o TS673 o DDC392
[ DDC394 ]
ENERGY= 692.4 kJ/mol
CONNECTIONS:
o TS674 o DDC395
[ DDC395 ]
ENERGY= 692.4 kJ/mol
CONNECTIONS:
o TS674 o DDC394
[ DDC396 ]
ENERGY= 1051.5 kJ/mol
CONNECTIONS:
o TS675 o DDC397
[ DDC397 ]
ENERGY= 1051.1 kJ/mol
CONNECTIONS:
o TS675 o DDC396
[ DDC398 ]
ENERGY= 915.9 kJ/mol
CONNECTIONS:
o TS676 o DDC399
[ DDC399 ]
ENERGY= 860.8 kJ/mol
CONNECTIONS:
o TS676 o DDC398
[ DDC400 ]
ENERGY= 1102.3 kJ/mol
CONNECTIONS:
o TS677 o DDC401
[ DDC401 ]
ENERGY= 1102.3 kJ/mol
CONNECTIONS:
o TS677 o DDC400
[ DDC402 ]
ENERGY= 769.8 kJ/mol
CONNECTIONS:
o TS678 o DDC403
[ DDC403 ]
ENERGY= 769.8 kJ/mol
CONNECTIONS:
o TS678 o DDC402
[ DDC404 ]
ENERGY= 1056.0 kJ/mol
CONNECTIONS:
o TS679 o DDC405
[ DDC405 ]
ENERGY= 1067.7 kJ/mol
CONNECTIONS:
o TS679 o DDC404
[ DDC406 ]
ENERGY= 1019.8 kJ/mol
CONNECTIONS:
o TS680 o DDC407
[ DDC407 ]
ENERGY= 1030.5 kJ/mol
CONNECTIONS:
o TS680 o DDC406
[ DDC408 ]
ENERGY= 826.0 kJ/mol
CONNECTIONS:
o TS681 o DDC409
[ DDC409 ]
ENERGY= 846.7 kJ/mol
CONNECTIONS:
o TS681 o DDC408
[ DDC410 ]
ENERGY= 1205.9 kJ/mol
CONNECTIONS:
o TS682 o DDC411
[ DDC411 ]
ENERGY= 1203.4 kJ/mol
CONNECTIONS:
o TS682 o DDC410
[ DDC412 ]
ENERGY= 852.6 kJ/mol
CONNECTIONS:
o TS683 o DDC413
[ DDC413 ]
ENERGY= 885.0 kJ/mol
CONNECTIONS:
o TS683 o DDC412
[ UDC0 ]
C1 ENERGY= 589.0 kJ/mol
CONNECTIONS:
o EQ0 o
[ UDC1 ]
Cs ENERGY= 611.3 kJ/mol
CONNECTIONS:
o EQ0 o
[ UDC2 ]
C1 ENERGY= 629.1 kJ/mol
CONNECTIONS:
o EQ1 o
[ UDC3 ]
Cs ENERGY= 666.0 kJ/mol
CONNECTIONS:
o EQ1 o
[ UDC4 ]
Cs ENERGY= 760.3 kJ/mol
CONNECTIONS:
o EQ1 o
[ UDC5 ]
C1 ENERGY= 634.7 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC6 ]
Cs ENERGY= 661.9 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC7 ]
Cs ENERGY= 668.6 kJ/mol
CONNECTIONS:
o EQ2 o
[ UDC8 ]
Cs ENERGY= 614.0 kJ/mol
CONNECTIONS:
o EQ3 o
[ UDC9 ]
C1 ENERGY= 626.0 kJ/mol
CONNECTIONS:
o EQ3 o
[ UDC10 ]
C1 ENERGY= 626.7 kJ/mol
CONNECTIONS:
o EQ4 o
[ UDC11 ]
Cs ENERGY= 681.4 kJ/mol
CONNECTIONS:
o EQ4 o
[ UDC12 ]
Cs ENERGY= 943.7 kJ/mol
CONNECTIONS:
o EQ4 o
[ UDC13 ]
Cs ENERGY= 680.9 kJ/mol
CONNECTIONS:
o EQ5 o
[ UDC14 ]
Cs ENERGY= 948.7 kJ/mol
CONNECTIONS:
o EQ5 o
[ UDC15 ]
C1 ENERGY= 838.5 kJ/mol
CONNECTIONS:
o EQ6 o
[ UDC16 ]
C1 ENERGY= 954.3 kJ/mol
CONNECTIONS:
o EQ6 o
[ UDC17 ]
Cs ENERGY= 620.0 kJ/mol
CONNECTIONS:
o EQ7 o
[ UDC18 ]
C1 ENERGY= 660.4 kJ/mol
CONNECTIONS:
o EQ7 o
[ UDC19 ]
Cs ENERGY= 862.0 kJ/mol
CONNECTIONS:
o EQ7 o
[ UDC20 ]
Cs ENERGY= 964.5 kJ/mol
CONNECTIONS:
o EQ7 o
[ UDC21 ]
Cs ENERGY= 771.7 kJ/mol
CONNECTIONS:
o EQ8 o
[ UDC22 ]
Cs ENERGY= 800.4 kJ/mol
CONNECTIONS:
o EQ8 o
[ UDC23 ]
C1 ENERGY= 821.6 kJ/mol
CONNECTIONS:
o EQ8 o
[ UDC24 ]
Cs ENERGY= 897.7 kJ/mol
CONNECTIONS:
o EQ8 o
[ UDC25 ]
Cs ENERGY= 777.3 kJ/mol
CONNECTIONS:
o EQ9 o
[ UDC26 ]
Cs ENERGY= 902.2 kJ/mol
CONNECTIONS:
o EQ9 o
[ UDC27 ]
C1 ENERGY= 834.4 kJ/mol
CONNECTIONS:
o EQ10 o
[ UDC28 ]
C1 ENERGY= 781.0 kJ/mol
CONNECTIONS:
o EQ11 o
[ UDC29 ]
C1 ENERGY= 819.2 kJ/mol
CONNECTIONS:
o EQ11 o
[ UDC30 ]
C1 ENERGY= 792.9 kJ/mol
CONNECTIONS:
o EQ12 o
[ UDC31 ]
Ci ENERGY= 658.3 kJ/mol
CONNECTIONS:
o EQ13 o
[ UDC32 ]
C1 ENERGY= 821.4 kJ/mol
CONNECTIONS:
o EQ14 o
[ UDC33 ]
C1 ENERGY= 843.9 kJ/mol
CONNECTIONS:
o EQ16 o
[ UDC34 ]
C1 ENERGY= 761.8 kJ/mol
CONNECTIONS:
o EQ17 o
[ UDC35 ]
C1 ENERGY= 910.9 kJ/mol
CONNECTIONS:
o EQ17 o
[ UDC36 ]
C1 ENERGY= 941.6 kJ/mol
CONNECTIONS:
o EQ18 o
[ UDC37 ]
C1 ENERGY= 950.8 kJ/mol
CONNECTIONS:
o EQ19 o
[ UDC38 ]
C1 ENERGY= 778.3 kJ/mol
CONNECTIONS:
o EQ20 o
[ UDC39 ]
Cs ENERGY= 808.8 kJ/mol
CONNECTIONS:
o EQ20 o
[ UDC40 ]
C1 ENERGY= 808.8 kJ/mol
CONNECTIONS:
o EQ21 o
[ UDC41 ]
Cs ENERGY= 847.7 kJ/mol
CONNECTIONS:
o EQ21 o
[ UDC42 ]
C1 ENERGY= 808.2 kJ/mol
CONNECTIONS:
o EQ23 o
[ UDC43 ]
Cs ENERGY= 838.0 kJ/mol
CONNECTIONS:
o EQ23 o
[ UDC44 ]
Cs ENERGY= 868.4 kJ/mol
CONNECTIONS:
o EQ23 o
[ UDC45 ]
Cs ENERGY= 904.5 kJ/mol
CONNECTIONS:
o EQ24 o
[ UDC46 ]
C1 ENERGY= 805.7 kJ/mol
CONNECTIONS:
o EQ25 o
[ UDC47 ]
C1 ENERGY= 802.1 kJ/mol
CONNECTIONS:
o EQ26 o
[ UDC48 ]
Cs ENERGY= 1041.2 kJ/mol
CONNECTIONS:
o EQ27 o
[ UDC49 ]
Cs ENERGY= 1050.5 kJ/mol
CONNECTIONS:
o EQ27 o
[ UDC50 ]
C1 ENERGY= 824.8 kJ/mol
CONNECTIONS:
o EQ28 o
[ UDC51 ]
Cs ENERGY= 988.4 kJ/mol
CONNECTIONS:
o EQ28 o
[ UDC52 ]
Cs ENERGY= 1052.0 kJ/mol
CONNECTIONS:
o EQ28 o
[ UDC53 ]
C1 ENERGY= 822.7 kJ/mol
CONNECTIONS:
o EQ29 o
[ UDC54 ]
Cs ENERGY= 843.7 kJ/mol
CONNECTIONS:
o EQ29 o
[ UDC55 ]
Cs ENERGY= 1065.8 kJ/mol
CONNECTIONS:
o EQ29 o
[ UDC56 ]
C1 ENERGY= 840.0 kJ/mol
CONNECTIONS:
o EQ30 o
[ UDC57 ]
C1 ENERGY= 880.9 kJ/mol
CONNECTIONS:
o EQ30 o
[ UDC58 ]
C1 ENERGY= 816.9 kJ/mol
CONNECTIONS:
o EQ32 o
[ UDC59 ]
C1 ENERGY= 895.5 kJ/mol
CONNECTIONS:
o EQ32 o
[ UDC60 ]
C1 ENERGY= 1078.1 kJ/mol
CONNECTIONS:
o EQ32 o
[ UDC61 ]
C1 ENERGY= 1098.2 kJ/mol
CONNECTIONS:
o EQ34 o
[ UDC62 ]
C1 ENERGY= 1103.5 kJ/mol
CONNECTIONS:
o EQ35 o
[ UDC63 ]
C1 ENERGY= 994.4 kJ/mol
CONNECTIONS:
o EQ36 o
[ UDC64 ]
Cs ENERGY= 1013.7 kJ/mol
CONNECTIONS:
o EQ36 o
[ UDC65 ]
Cs ENERGY= 1015.7 kJ/mol
CONNECTIONS:
o EQ36 o
[ UDC66 ]
C1 ENERGY= 923.0 kJ/mol
CONNECTIONS:
o EQ37 o
[ UDC67 ]
C1 ENERGY= 1108.3 kJ/mol
CONNECTIONS:
o EQ38 o
[ UDC68 ]
C1 ENERGY= 1073.9 kJ/mol
CONNECTIONS:
o EQ39 o
[ UDC69 ]
C1 ENERGY= 1111.1 kJ/mol
CONNECTIONS:
o EQ39 o
[ UDC70 ]
C1 ENERGY= 951.3 kJ/mol
CONNECTIONS:
o EQ40 o
[ UDC71 ]
C1 ENERGY= 1076.7 kJ/mol
CONNECTIONS:
o EQ41 o
[ UDC72 ]
C1 ENERGY= 1195.6 kJ/mol
CONNECTIONS:
o EQ44 o
[ UDC73 ]
C1 ENERGY= 1178.0 kJ/mol
CONNECTIONS:
o EQ45 o
[ UDC74 ]
C1 ENERGY= 1182.3 kJ/mol
CONNECTIONS:
o EQ46 o
[ UDC75 ]
C1 ENERGY= 991.3 kJ/mol
CONNECTIONS:
o EQ47 o
[ UDC76 ]
C1 ENERGY= 1170.2 kJ/mol
CONNECTIONS:
o EQ48 o
[ UDC77 ]
C1 ENERGY= 1184.0 kJ/mol
CONNECTIONS:
o EQ49 o
[ UDC78 ]
C1 ENERGY= 1007.4 kJ/mol
CONNECTIONS:
o EQ50 o
[ UDC79 ]
C1 ENERGY= 1211.8 kJ/mol
CONNECTIONS:
o EQ51 o
[ UDC80 ]
C1 ENERGY= 1212.6 kJ/mol
CONNECTIONS:
o EQ51 o
[ UDC81 ]
Cs ENERGY= 1103.0 kJ/mol
CONNECTIONS:
o EQ52 o
[ UDC82 ]
Cs ENERGY= 604.0 kJ/mol
CONNECTIONS:
o EQ53 o
[ UDC83 ]
Cs ENERGY= 1046.0 kJ/mol
CONNECTIONS:
o EQ53 o
[ UDC84 ]
C1 ENERGY= 1106.2 kJ/mol
CONNECTIONS:
o EQ53 o
[ UDC85 ]
Cs ENERGY= 1113.8 kJ/mol
CONNECTIONS:
o EQ56 o
[ UDC86 ]
C1 ENERGY= 1136.8 kJ/mol
CONNECTIONS:
o EQ56 o
[ UDC87 ]
Cs ENERGY= 1115.8 kJ/mol
CONNECTIONS:
o EQ57 o
[ UDC88 ]
Cs ENERGY= 1302.2 kJ/mol
CONNECTIONS:
o EQ57 o
[ UDC89 ]
Cs ENERGY= 1312.9 kJ/mol
CONNECTIONS:
o EQ59 o
[ UDC90 ]
Cs ENERGY= 601.2 kJ/mol
CONNECTIONS:
o EQ61 o
[ UDC91 ]
Cs ENERGY= 1203.6 kJ/mol
CONNECTIONS:
o EQ61 o
[ UDC92 ]
C1 ENERGY= 1232.0 kJ/mol
CONNECTIONS:
o EQ64 o
[ UDC93 ]
C1 ENERGY= 1288.4 kJ/mol
CONNECTIONS:
o EQ64 o
[ UDC94 ]
C1 ENERGY= 1193.9 kJ/mol
CONNECTIONS:
o EQ67 o
[ UDC95 ]
C1 ENERGY= 1290.6 kJ/mol
CONNECTIONS:
o EQ67 o
[ UDC96 ]
Cs ENERGY= 1119.7 kJ/mol
CONNECTIONS:
o EQ68 o
[ UDC97 ]
Cs ENERGY= 1206.4 kJ/mol
CONNECTIONS:
o EQ68 o
[ UDC98 ]
C1 ENERGY= 1185.4 kJ/mol
CONNECTIONS:
o EQ69 o
[ UDC99 ]
C1 ENERGY= 1253.1 kJ/mol
CONNECTIONS:
o EQ69 o
[ UDC100 ]
C1 ENERGY= 1271.8 kJ/mol
CONNECTIONS:
o EQ69 o
[ UDC101 ]
C1 ENERGY= 1317.3 kJ/mol
CONNECTIONS:
o EQ69 o
[ UDC102 ]
Cs ENERGY= 726.1 kJ/mol
CONNECTIONS:
o EQ70 o
[ UDC103 ]
C1 ENERGY= 1269.8 kJ/mol
CONNECTIONS:
o EQ70 o
[ UDC104 ]
C1 ENERGY= 1287.5 kJ/mol
CONNECTIONS:
o EQ70 o
[ UDC105 ]
C1 ENERGY= 1403.1 kJ/mol
CONNECTIONS:
o EQ71 o
[ UDC106 ]
C1 ENERGY= 1403.1 kJ/mol
CONNECTIONS:
o EQ72 o
[ UDC107 ]
C1 ENERGY= 1401.0 kJ/mol
CONNECTIONS:
o EQ73 o
[ UDC108 ]
C1 ENERGY= 1257.7 kJ/mol
CONNECTIONS:
o EQ75 o
[ UDC109 ]
C1 ENERGY= 1418.8 kJ/mol
CONNECTIONS:
o EQ75 o
[ UDC110 ]
C1 ENERGY= 1254.5 kJ/mol
CONNECTIONS:
o EQ76 o
[ UDC111 ]
C1 ENERGY= 1412.3 kJ/mol
CONNECTIONS:
o EQ76 o
[ UDC112 ]
Cs ENERGY= 1353.2 kJ/mol
CONNECTIONS:
o EQ77 o
[ UDC113 ]
Cs ENERGY= 837.5 kJ/mol
CONNECTIONS:
o EQ79 o
[ UDC114 ]
Cs ENERGY= 871.7 kJ/mol
CONNECTIONS:
o EQ80 o
[ UDC115 ]
C1 ENERGY= 1416.1 kJ/mol
CONNECTIONS:
o EQ80 o
[ UDC116 ]
Cs ENERGY= 1434.4 kJ/mol
CONNECTIONS:
o EQ80 o
[ UDC117 ]
Cs ENERGY= 894.7 kJ/mol
CONNECTIONS:
o EQ81 o
[ UDC118 ]
Cs ENERGY= 1444.5 kJ/mol
CONNECTIONS:
o EQ81 o
[ UDC119 ]
C1 ENERGY= 1456.8 kJ/mol
CONNECTIONS:
o EQ81 o
[ UDC120 ]
C1 ENERGY= 860.9 kJ/mol
CONNECTIONS:
o EQ82 o
[ UDC121 ]
C1 ENERGY= 869.8 kJ/mol
CONNECTIONS:
o EQ82 o
[ UDC122 ]
C1 ENERGY= 1451.9 kJ/mol
CONNECTIONS:
o EQ83 o
[ UDC123 ]
C1 ENERGY= 1473.1 kJ/mol
CONNECTIONS:
o EQ83 o
[ UDC124 ]
C1 ENERGY= 1466.7 kJ/mol
CONNECTIONS:
o EQ84 o
[ UDC125 ]
C1 ENERGY= 1461.4 kJ/mol
CONNECTIONS:
o EQ85 o
[ UDC126 ]
C1 ENERGY= 1466.7 kJ/mol
CONNECTIONS:
o EQ86 o
[ UDC127 ]
C1 ENERGY= 1473.4 kJ/mol
CONNECTIONS:
o EQ88 o
[ UDC128 ]
Cs ENERGY= 1189.8 kJ/mol
CONNECTIONS:
o EQ89 o
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