727	643	769	0:SP2_SP2_SP2	C[5a]	C[6a]	C[4,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[4,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[4,5a]-3:C[5a]-3:C[4]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]C[4,5a])(C[6a]C[6a]H)2	C[4,5a](N[4,5a]C[5a,6a]C[4])(C[5a]C[5a,6a]C[6a])(C[4]C[4]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[4,5a]N[4,5a]C[4])(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6a]C[4,5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[4,5a](N[4,5a]C[5a,6a]C[4])(C[5a]C[5a,6a]C[6a])(C[4]C[4]HH){2|H<1>,4|C<3>}	126.7440	0.000	1	126.7440	0.000	1	126.7440	0.000	1	126.7440	0.000	1	126.7440	0.000	1	126.7440	0.000	1
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a,6a]	B[5]	3:3:4:	3:3:3:	3:3:4:4:	C[5,6a,6a]-3:C[6a,6a]-3:B[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:B[5]-3:P-4:P-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP)	C[6a,6a](C[5,6a]C[5,6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(B[5]B[5]PP){1|H<1>,6|C<3>}	C[6a,6a](C[5,6a]C[5,6a,6a]B[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,2|P<4>,3|C<3>,3|H<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a,6a])(B[5]C[5,6a]C[6a])(PC3)2{6|C<3>}	132.7850	0.000	1	132.7850	0.000	1	132.7850	0.000	1	132.7850	0.000	1	132.7850	0.000	1	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]F){1|B<4>,1|N<2>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	131.1975	0.368	4	131.1975	0.135	4	131.1975	0.135	4	131.1975	0.135	4	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	126.3030	0.000	1	126.3030	0.000	1	126.3030	0.000	1	131.5178	8.775	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	133.0055	0.961	2	133.0055	0.923	2	133.0055	0.923	2	131.5178	8.775	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	B[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(P[5]C[5,6a]CC){3|H<1>,7|C<3>}	132.6375	0.218	2	132.6375	0.048	2	132.6375	0.048	2	131.5178	8.775	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]FF)(O[5]C[5])2{1|H<1>,2|C<3>,6|C<4>}	130.9040	0.000	1	130.9040	0.000	1	130.9040	0.000	1	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	129.8180	0.000	1	130.1090	0.869	4	130.1090	0.869	4	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	128.9180	0.000	1	130.1090	0.869	4	130.1090	0.869	4	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	130.8500	0.074	2	130.1090	0.869	4	130.1090	0.869	4	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(O[5]C[5])2{1|N<3>,2|C<3>,4|H<1>,5|C<4>}	129.7575	0.076	4	129.7575	0.006	4	129.2238	0.709	6	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5]H)(O[5]C[5,6,6])2{1|N<3>,2|H<1>,3|C<3>,5|C<4>}	128.1565	0.329	2	128.1565	0.108	2	129.2238	0.709	6	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]C[5])2{2|C<3>,3|H<1>,4|C<4>}	130.8860	0.000	1	130.8860	0.000	1	129.0687	2.483	3	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<4>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	128.1600	0.107	2	128.1600	0.012	2	129.0687	2.483	3	129.5635	1.195	14	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:3:2:2:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|O<2>}	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	125.9630	0.068	2	125.9630	0.005	2	125.9630	0.005	2	125.9630	0.005	2	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]F){1|N<2>,2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<3>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]B[5,5]N){3|F<1>,8|C<3>}	125.7930	0.006	2	125.7930	0.000	2	125.7930	0.000	2	129.5506	11.870	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	132.2700	0.000	1	132.2700	0.000	1	132.0557	0.208	3	129.5506	11.870	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:3:3:3:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,6]-3:	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6])	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	131.9485	0.589	2	131.9485	0.347	2	132.0557	0.208	3	129.5506	11.870	5	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:4:4:1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	132.6930	0.000	1	132.6930	0.000	1	132.1165	0.665	2	132.1165	0.665	2	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:1:	3:4:4:1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,5|H<1>}	131.5400	0.000	1	131.5400	0.000	1	132.1165	0.665	2	132.1165	0.665	2	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,5]	4:3:3:	3:3:4:	3:3:3:4:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-4:	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3)	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC)	C[5,6a](B[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(CC3){1|N<4>,2|C<4>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]C[5]CC){1|C<4>,4|H<1>,6|C<3>}	135.3990	0.000	1	135.3990	0.000	1	135.3990	0.000	1	135.3990	0.000	1	130.1691	5.934	33	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:N[6,6]-3:O[6]-2:	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6])	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	B[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,5|C<3>,7|H<1>}	135.8900	0.000	1	135.8900	0.000	1	135.8900	0.000	1	135.8900	0.000	1	135.8900	0.000	1	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6])	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])(O[6]B[6]){1|N<4>,1|O<2>,3|H<1>,4|C<3>}	130.8365	0.272	2	130.8365	0.074	2	130.5753	0.787	6	130.5753	0.787	6	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]B[5,6])2{1|O<2>,2|N<4>,3|H<1>,4|C<3>}	130.2393	1.255	3	130.2393	1.574	3	130.5753	0.787	6	130.5753	0.787	6	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:O[6]-2:O[6]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[6]C[6])2{1|C<4>,2|C<3>,7|H<1>}	131.0610	0.000	1	131.0610	0.000	1	130.5753	0.787	6	130.5753	0.787	6	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:2:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5a,6]-3:O[6]-2:O[5]-2:	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5])	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	B[5,6](C[5,6a]C[5,6a]C[6a])(N[5a,6]C[5a,6]2)(O[6]C[6,6a])(O[5]B[5]){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	132.4220	0.110	2	132.4220	0.012	2	132.4220	0.012	2	132.4220	0.012	2	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|N<3>,2|H<1>,8|C<3>}	132.5660	0.055	2	132.3072	0.055	6	132.3072	0.055	6	132.2860	0.491	14	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|O<2>,2|H<1>,8|C<3>}	132.2510	0.093	2	132.3072	0.055	6	132.3072	0.055	6	132.2860	0.491	14	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a]){1|S<2>,2|H<1>,8|C<3>}	132.1045	0.203	2	132.3072	0.055	6	132.3072	0.055	6	132.2860	0.491	14	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6,6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6,6]C[6,6]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	132.9400	0.812	2	132.9400	0.659	2	132.9400	0.659	2	132.2860	0.491	14	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:2:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	132.0468	0.922	6	132.0468	0.851	6	132.0468	0.851	6	132.2860	0.491	14	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]F)(F){1|F<1>,2|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|F<1>,9|C<3>}	129.7520	0.748	4	129.7520	0.560	4	129.7520	0.560	4	131.0583	1.539	10	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:3:3:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5a,6]-3:N[5a,6]-3:	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[5a,6]C[5a,6]C[5a])2{2|C<4>,2|H<1>,9|C<3>}	131.9292	0.398	6	131.9292	0.159	6	131.9292	0.159	6	131.0583	1.539	10	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5,6]	4:3:3:	3:3:1:	3:3:4:4:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6]-4:P[6]-4:	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)(P[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	132.5225	0.866	2	132.5225	0.750	2	132.5225	0.750	2	132.5225	0.750	2	131.6449	1.325	34	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:2:1:1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	128.3350	0.000	1	128.3350	0.000	1	128.3350	0.000	1	128.3350	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:2:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)2{2|C<3>,3|H<1>}	132.7740	0.000	1	132.7740	0.000	1	132.7740	0.000	1	132.7740	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:2:3:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:O[5]-2:O-3:O-2:	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]F)(B[5]O[5]OO){1|C<3>,1|O<2>,2|F<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<3>,1|C<3>,1|F<1>,1|O<3>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OHH)(OH){1|F<1>,1|O<2>,2|C<3>}	133.0550	0.000	1	133.0550	0.000	1	133.0550	0.000	1	133.0550	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC[6a])2{2|C<3>,2|H<1>}	133.2315	0.581	2	133.2315	0.337	2	133.3839	0.272	7	133.3839	0.272	7	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	133.6435	0.384	4	133.6435	0.147	4	133.3839	0.272	7	133.3839	0.272	7	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:2:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC[6a])2{1|H<1>,3|C<3>}	132.6500	0.000	1	132.6500	0.000	1	133.3839	0.272	7	133.3839	0.272	7	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:3:2:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]F)(B[5]O[5]2O){1|C<3>,1|I<3>,1|O<2>,2|B<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|O<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	125.1790	0.302	4	125.1790	0.092	4	125.1790	0.092	4	125.1790	0.092	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:3:4:4:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	129.2160	0.000	1	129.2160	0.000	1	129.2160	0.000	1	129.2160	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:1:1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:F-1:F-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(F)2{1|H<1>,3|C<3>}	134.0540	0.000	1	134.0540	0.000	1	134.0540	0.000	1	132.9195	2.574	2	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:1:1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	131.7850	0.000	1	131.7850	0.000	1	131.7850	0.000	1	132.9195	2.574	2	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:3:4:	3:3:1:	3:4:3:1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:N-3:H-1:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(NSS)(H){1|H<1>,3|C<3>}	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:2:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Cl[5]-2:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<2>,2|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(Cl)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	120.9200	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:2:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Cl[5]-2:O-2:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Cl<2>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(Cl[5]B[5])(OC)(Cl){2|Cl<1>,1|H<1>,2|C<3>}	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(Cl)2{2|H<1>,4|C<3>}	131.1340	0.000	1	131.1340	0.000	1	131.1340	0.000	1	130.6478	5.317	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Cl)2{2|H<1>,4|C<3>}	133.6920	0.000	1	133.6920	0.000	1	133.6920	0.000	1	130.6478	5.317	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|O<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]C)(Cl)2{2|Cl<1>,1|H<1>,2|C<3>}	128.8825	0.463	2	128.8825	0.215	2	128.8825	0.215	2	130.6478	5.317	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]F)(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|O<2>,1|P<4>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	128.5930	0.000	1	128.5930	0.000	1	128.5930	0.000	1	128.6063	0.134	3	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:2:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	128.6130	0.518	2	128.6130	0.268	2	128.6130	0.268	2	128.6063	0.134	3	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:Br-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(Br){2|H<1>,8|C<3>}	134.1290	0.178	2	134.1290	0.032	2	134.1290	0.032	2	133.3078	0.447	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]2)(H){2|H<1>,8|C<3>}	132.8995	0.231	2	132.8995	0.053	2	132.8995	0.053	2	133.3078	0.447	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(Cl){4|C<3>,4|H<1>}	133.1490	0.000	1	133.1490	0.000	1	133.1490	0.000	1	133.3078	0.447	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){4|H<1>,6|C<3>}	132.6410	0.000	1	132.6410	0.000	1	132.6410	0.000	1	133.3078	0.447	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:Cl[5]-2:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5])	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2Cl[5])(C[6a]C[6a]F){2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<2>,1|B<4>,1|F<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(Cl[5]B[5]){5|F<1>,8|C<3>}	122.7005	1.641	2	122.7005	2.694	2	122.7005	2.694	2	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OP){4|H<1>,6|C<3>}	132.8075	0.474	4	132.8075	0.225	4	132.8075	0.225	4	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(NN){4|H<1>,6|C<3>}	132.7971	0.496	10	132.7971	0.246	10	132.7971	0.246	10	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,5|C<4>,6|C<3>}	135.3680	0.000	1	134.9105	0.283	4	132.2830	11.551	7	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	134.4540	0.127	2	134.9105	0.283	4	132.2830	11.551	7	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	135.3660	0.000	1	134.9105	0.283	4	132.2830	11.551	7	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5]){1|H<1>,2|C<4>,4|F<1>,6|C<3>}	130.3860	0.000	1	130.3860	0.000	1	132.2830	11.551	7	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5])	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5]){1|H<1>,6|C<3>,6|C<4>}	127.9765	0.390	2	127.9765	0.152	2	132.2830	11.551	7	131.7645	11.641	23	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]C[6a]2O[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|O<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]C){5|F<1>,8|C<3>}	128.4530	1.157	2	128.4530	1.338	2	128.4530	1.338	2	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]F){1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)2{1|N<3>,5|F<1>,8|C<3>}	130.3080	0.000	1	130.3080	0.000	1	130.3080	0.000	1	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{1|H<1>,5|C<4>,8|C<3>}	133.2350	0.000	1	132.6400	0.708	2	132.6400	0.708	2	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]N[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	132.0450	0.000	1	132.6400	0.708	2	132.6400	0.708	2	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|N<4>,4|H<1>,9|C<3>}	131.9358	0.507	4	131.9358	0.257	4	131.9358	0.257	4	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,9|C<3>}	132.6110	0.000	1	133.5550	1.782	2	133.5550	1.782	2	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	134.4990	0.000	1	133.5550	1.782	2	133.5550	1.782	2	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O)	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,8|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|P<4>,5|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]P[5]O){1|H<1>,4|F<1>,8|C<3>}	125.9470	0.000	1	125.9470	0.000	1	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,4|C<4>,7|C<3>}	133.5390	0.064	2	133.5490	1.032	11	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|C<4>,6|C<3>}	133.9892	0.477	6	133.5490	1.032	11	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){2|H<1>,4|F<1>,6|C<3>}	134.5870	0.000	1	133.5490	1.032	11	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]C){1|H<1>,5|C<4>,6|C<3>}	131.7195	0.496	2	133.5490	1.032	11	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]O){2|H<1>,4|F<1>,6|C<3>}	132.4580	0.000	1	132.4580	0.000	1	132.8803	5.291	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)2{1|S<2>,2|H<1>,4|C<4>,7|C<3>}	131.9760	0.000	1	131.9760	0.000	1	131.9760	0.000	1	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	131.3370	0.000	1	131.3370	0.000	1	131.8884	1.326	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	130.7340	0.344	2	130.7340	0.118	2	131.8884	1.326	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|C<4>,4|H<1>,8|C<3>}	131.7790	0.959	3	131.9490	0.929	9	131.8884	1.326	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	132.0340	1.045	6	131.9490	0.929	9	131.8884	1.326	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|C<4>,8|C<3>}	134.2030	0.000	1	134.2030	0.000	1	131.8884	1.326	13	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	133.1403	0.693	7	133.2842	0.362	11	133.2007	0.950	15	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	133.5360	0.334	4	133.2842	0.362	11	133.2007	0.950	15	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(C[6a]C[6a]2)2{2|H<1>,4|F<1>,8|C<3>}	132.1180	0.574	3	132.1180	0.329	3	133.2007	0.950	15	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	135.5310	0.000	1	135.5310	0.000	1	133.2007	0.950	15	132.4401	2.934	53	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:N[6]-3:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(N[6]C[6]2)(CC[6]HH){1|C<4>,2|H<1>,6|C<3>}	133.5260	0.000	1	133.5260	0.000	1	133.5260	0.000	1	131.2538	6.090	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[6]-3:C-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(CC[6]HH){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	132.7425	0.163	2	132.7425	0.027	2	132.7425	0.027	2	131.2538	6.090	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]C[5]CC){1|C<4>,6|C<3>,6|H<1>}	130.8940	0.222	2	130.8940	0.049	2	130.8940	0.049	2	131.2538	6.090	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:3:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:P[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(P[5]C[5]CC){3|H<1>,4|F<1>,6|C<3>}	126.7240	0.000	1	126.7240	0.000	1	126.7240	0.000	1	131.2538	6.090	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<4>,1|F<1>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){1|F<1>,2|C<4>,2|H<1>,4|C<3>}	126.8460	0.000	1	126.6405	0.084	2	126.6405	0.084	2	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:Cl-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]Cl)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<4>,1|F<1>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(Cl){2|C<4>,3|F<1>,4|C<3>}	126.4350	0.000	1	126.6405	0.084	2	126.6405	0.084	2	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:F-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]F)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|P<4>,2|C<3>,2|F<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(F){2|C<4>,3|F<1>,4|C<3>}	127.5080	0.000	1	127.5080	0.000	1	127.5080	0.000	1	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]H)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|H<1>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(H){2|C<4>,3|F<1>,4|C<3>}	128.3040	0.000	1	128.3040	0.000	1	128.3040	0.000	1	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:Br-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(Br){2|H<1>,4|C<3>}	132.6200	0.154	2	132.6200	0.024	2	132.6200	0.024	2	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(PCCH)(H){2|H<1>,4|C<3>}	133.1550	0.659	2	133.1550	0.434	2	133.1550	0.434	2	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]CC)(H){2|H<1>,3|C<4>,4|C<3>}	132.5640	0.000	1	132.5640	0.000	1	132.5640	0.000	1	130.3563	8.909	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	127.2623	0.394	3	127.2623	0.155	3	127.7432	1.111	6	128.8424	4.949	8	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OS){2|C<4>,3|F<1>,4|C<3>}	126.6210	0.000	1	126.6210	0.000	1	127.7432	1.111	6	128.8424	4.949	8	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]C[5]O)(C[6a]C[6a]F){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(F){1|C<4>,1|F<1>,1|O<2>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	129.0255	0.013	2	129.0255	0.000	2	127.7432	1.111	6	128.8424	4.949	8	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(ON[6]){2|C<4>,4|C<3>,4|H<1>}	132.1400	0.308	2	132.1400	0.095	2	132.1400	0.095	2	128.8424	4.949	8	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CH3)2{1|H<1>,1|N<3>,4|C<3>}	129.8795	0.513	4	129.8795	0.263	4	129.8795	0.263	4	130.6671	0.723	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(CCHH)2{1|H<1>,1|N<3>,4|C<3>}	131.1290	0.000	1	131.1290	0.000	1	131.2972	0.133	5	130.6671	0.723	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CCHH)2{1|H<1>,5|C<3>}	130.8450	0.000	1	130.8450	0.000	1	131.2972	0.133	5	130.6671	0.723	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	131.5200	0.410	2	131.5200	0.168	2	131.2972	0.133	5	130.6671	0.723	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:3:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:C-4:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(CH3)2{1|H<1>,5|C<3>}	131.4720	0.000	1	131.4720	0.000	1	131.2972	0.133	5	130.6671	0.723	9	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:1:1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(Cl)2{1|H<1>,7|C<3>}	129.5880	0.000	1	129.5880	0.000	1	129.5880	0.000	1	130.5027	6.529	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	131.9040	0.000	1	131.9423	0.019	4	131.9423	0.019	4	130.5027	6.529	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(Cl)2{1|C<4>,2|C<3>,2|H<1>}	131.9550	0.168	3	131.9423	0.019	4	131.9423	0.019	4	130.5027	6.529	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:1:1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:Cl-1:Cl-1:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	B[5](C[5,6a]C[5,6a]C[6a])(P[5]C[5]CC)(Cl)2{2|C<3>,3|H<1>}	125.6590	0.000	1	125.6590	0.000	1	125.6590	0.000	1	130.5027	6.529	6	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:2:2:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-4:O-2:O-2:	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(OC[6a])2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	130.9010	0.000	2	130.9010	0.000	2	130.9010	0.000	2	130.9010	0.000	2	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,7|C<3>}	123.7010	0.000	1	123.7010	0.000	1	123.7703	0.019	3	126.0093	20.064	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:3:3:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)2{11|C<3>,1|H<1>,4|C<4>}	123.8050	0.177	2	123.8050	0.031	2	123.7703	0.019	3	126.0093	20.064	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:3:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	132.7260	0.000	1	132.7260	0.000	1	132.7260	0.000	1	126.0093	20.064	4	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:3:4:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:N-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,1|P<4>,3|C<3>}	B[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(NH3){1|H<1>,2|C<4>,9|C<3>}	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	125.1580	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:4:3:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]C){10|H<1>,2|C<3>,4|C<4>}	132.9650	0.000	1	132.9650	0.000	1	132.9650	0.000	1	132.9650	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	3:4:3:	3:3:1:	3:4:4:4:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)2(N[5]C[5]CC){10|H<1>,2|C<3>,5|C<4>}	130.0570	0.000	1	130.0570	0.000	1	130.0570	0.000	1	130.0570	0.000	1	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<3>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	130.7620	0.649	2	130.6927	0.157	4	130.6927	0.157	4	132.0485	1.900	10	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-3:	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2)	C[5,6a](B[5]C[5,6a]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]F){2|C<4>,2|F<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(F){1|F<1>,1|O<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5]2){1|B<4>,2|C<4>,3|F<1>,4|H<1>,6|C<3>}	130.6235	0.172	2	130.6927	0.157	4	130.6927	0.157	4	132.0485	1.900	10	131.1878	8.697	166	131.1377	7.411	235
727	643	786	0:SP2_SP2_SP3	C[5,6a]	C[6a]	B[5]	4:3:3:	3:3:1:	3:3:3:3:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[6]-3:	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[6]C[6]2){5|H<1>,9|C<3>}	132.9523	0.936	6	132.9523	0.876	6	132.9523	0.876	6	132.0485	1.900	10	131.1878	8.697	166	131.1377	7.411	235
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	129.3610	0.423	2	129.3610	0.179	2	129.3610	0.179	2	129.3610	0.179	2	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	129.5220	0.000	1	129.5220	0.000	1	129.5220	0.000	1	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	129.9620	0.000	1	129.9620	0.000	1	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){2|C<3>,5|H<1>}	128.9430	0.000	1	129.5147	0.147	4	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,2|C<3>,4|H<1>}	129.7370	0.000	2	129.5147	0.147	4	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|S<4>,3|C<3>,3|H<1>}	129.6420	0.000	1	129.5147	0.147	4	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]O[5])(C[5a]S[5a]N){1|H<1>,2|C<3>}	133.9410	0.000	1	133.9410	0.000	1	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]P[5])(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.7980	0.000	1	125.7980	0.000	1	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	128.6010	0.163	2	128.6010	0.026	2	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a])	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	128.7370	0.000	1	128.7370	0.000	1	129.3699	4.015	10	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	130.4120	0.000	1	130.0755	0.180	4	130.0694	0.135	5	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	130.2140	0.110	2	130.0755	0.180	4	130.0694	0.135	5	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	129.4620	0.000	1	130.0755	0.180	4	130.0694	0.135	5	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|O<1>,2|H<1>,4|C<3>}	130.0450	0.000	1	130.0450	0.000	1	130.0694	0.135	5	129.5980	2.554	16	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	133.1120	0.000	1	133.1120	0.000	1	133.1120	0.000	1	133.1120	0.000	1	129.7580	2.804	19	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	128.8160	0.000	1	128.8160	0.000	1	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	127.6380	0.081	2	127.6380	0.006	2	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	129.0903	0.185	3	128.8772	0.103	5	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	128.5300	0.000	1	128.8772	0.103	5	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	128.5850	0.000	1	128.8772	0.103	5	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	132.1790	0.000	1	132.1790	0.000	1	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	132.6210	0.000	1	132.6210	0.000	1	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	131.8360	0.000	1	131.8360	0.000	1	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	128.2260	0.000	1	128.2260	0.000	1	129.4450	3.065	12	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	128.3450	0.000	1	128.3450	0.000	1	128.6083	0.054	3	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	128.6980	0.000	1	128.7400	0.004	2	128.6083	0.054	3	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	128.7820	0.000	1	128.7400	0.004	2	128.6083	0.054	3	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5]){2|H<1>,7|C<3>}	130.2050	0.000	1	130.2050	0.000	1	130.2050	0.000	1	129.3356	2.421	16	129.3356	2.421	16	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,2|F<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	130.1680	0.119	2	130.1680	0.014	2	130.1680	0.014	2	129.7900	0.436	3	129.7900	0.436	3	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6]){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	129.0340	0.000	1	129.0340	0.000	1	129.0340	0.000	1	129.7900	0.436	3	129.7900	0.436	3	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	130.5690	0.000	1	130.5690	0.000	1	130.5690	0.000	1	130.5690	0.000	1	130.5690	0.000	1	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|C<4>}	128.6220	0.000	1	128.6220	0.000	1	128.6220	0.000	1	128.6220	0.000	1	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|N<2>,2|C<4>,3|C<3>}	125.0250	0.000	1	125.0250	0.000	1	124.7725	0.469	10	124.9284	0.516	12	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	124.6368	0.688	8	124.7444	0.519	9	124.7725	0.469	10	124.9284	0.516	12	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|N<2>,2|C<4>,3|C<3>}	125.6060	0.000	1	124.7444	0.519	9	124.7725	0.469	10	124.9284	0.516	12	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H){1|C<4>,2|N<2>,3|C<3>}	125.7080	0.024	2	125.7080	0.001	2	125.7080	0.001	2	124.9284	0.516	12	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.2610	0.000	1	127.2610	0.000	1	127.2610	0.000	1	127.2610	0.000	1	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	127.7010	0.178	2	127.7010	0.032	2	129.1127	5.994	3	129.1127	5.994	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){4|C<3>}	131.9360	0.000	1	131.9360	0.000	1	129.1127	5.994	3	129.1127	5.994	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	135.5255	1.064	2	135.5255	1.133	2	135.5255	1.133	2	134.1837	5.968	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:S-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	131.5000	0.000	1	131.5000	0.000	1	131.5000	0.000	1	134.1837	5.968	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){2|C<4>,4|C<3>}	128.4240	0.000	1	128.4240	0.000	1	127.5766	0.410	7	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.4620	0.000	1	127.4353	0.324	6	127.5766	0.410	7	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.4793	0.797	3	127.4353	0.324	6	127.5766	0.410	7	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.3560	0.576	2	127.4353	0.324	6	127.5766	0.410	7	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.4050	0.000	1	125.4050	0.000	1	125.4050	0.000	1	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	126.0105	0.262	2	126.0105	0.069	2	126.9310	2.576	3	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	128.7720	0.000	1	128.7720	0.000	1	126.9310	2.576	3	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6](C[6,6a]C[5a,6a]N[6,6a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.5725	0.086	2	125.5725	0.007	2	125.5725	0.007	2	126.9522	1.379	13	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.5390	0.000	1	128.5390	0.000	1	129.6402	4.915	6	129.6402	4.915	6	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	129.9820	0.000	1	129.9820	0.000	1	129.6402	4.915	6	129.6402	4.915	6	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	128.0340	0.103	2	128.0340	0.011	2	129.6402	4.915	6	129.6402	4.915	6	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	133.8830	0.000	1	133.8830	0.000	1	129.6402	4.915	6	129.6402	4.915	6	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	129.3690	0.000	1	129.3690	0.000	1	129.6402	4.915	6	129.6402	4.915	6	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<2>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	126.8210	0.000	1	126.8210	0.000	1	126.8210	0.000	1	129.5373	3.568	4	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.4427	0.659	3	130.4427	0.434	3	130.4427	0.434	3	129.5373	3.568	4	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]N[6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|N<3>,3|C<3>}	130.5780	0.000	1	130.5780	0.000	1	130.5780	0.000	1	129.7397	1.914	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.1430	0.000	1	128.1430	0.000	1	129.3205	2.773	2	129.7397	1.914	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(CH3){1|C<4>,3|C<3>}	130.4980	0.000	1	130.4980	0.000	1	129.3205	2.773	2	129.7397	1.914	3	127.8370	8.123	46	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	128.3750	0.000	1	128.5545	0.279	4	128.5545	0.279	4	128.5149	0.227	7	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[6]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	128.6143	0.630	3	128.5545	0.279	4	128.5545	0.279	4	128.5149	0.227	7	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	128.4620	0.505	3	128.4620	0.255	3	128.4620	0.255	3	128.5149	0.227	7	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){3|C<3>,4|C<4>}	130.1770	0.771	2	130.1770	0.594	2	130.1770	0.594	2	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.1060	0.346	2	128.7880	0.147	7	128.7880	0.147	7	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	128.4570	0.000	1	128.7880	0.147	7	128.7880	0.147	7	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.7117	0.376	4	128.7880	0.147	7	128.7880	0.147	7	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	131.0290	0.000	1	131.5213	2.083	4	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Hg<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	131.9240	0.000	1	131.5213	2.083	4	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	129.8570	0.000	1	131.5213	2.083	4	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ru<9>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]N[5a])(H){5|C<3>}	133.2750	0.000	1	131.5213	2.083	4	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Co<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	129.9140	0.000	1	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.5807	0.342	3	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cu<5>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.1820	1.076	2	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.5826	1.142	7	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.6360	0.339	3	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.5990	0.994	3	130.6212	0.698	19	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Cd<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	130.9270	0.000	1	130.5848	0.074	5	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Fe<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	130.6190	0.000	1	130.5848	0.074	5	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Mn<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	130.4730	0.359	2	130.5848	0.074	5	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ni<6>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){3|C<3>}	130.4320	0.000	1	130.5848	0.074	5	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6]H){2|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.0500	0.000	1	131.0500	0.000	1	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.3880	0.000	1	132.2320	0.309	6	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	132.4008	0.416	5	132.2320	0.309	6	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<4>,3|C<3>}	133.2230	0.000	1	133.2230	0.000	1	131.0688	1.121	36	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]N[6])(N[5a]C[5a,6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	131.0320	0.000	1	131.0320	0.000	1	131.0320	0.000	1	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(C[6]N[6]O){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.7935	0.736	2	127.7935	0.542	2	127.7935	0.542	2	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	131.0970	0.000	1	131.0970	0.000	1	131.0970	0.000	1	130.5727	1.847	49	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6]C[6])(OH){3|C<3>,4|C<4>}	130.9080	0.041	2	130.9080	0.002	2	130.9080	0.002	2	130.9080	0.002	2	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]C){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]O[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|H<1>,5|C<3>}	130.0040	0.000	1	130.0040	0.000	1	130.0040	0.000	1	131.6817	2.187	3	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a])	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C[6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	132.5205	0.391	2	132.5205	0.153	2	132.5205	0.153	2	131.6817	2.187	3	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	135.1434	0.711	5	135.1434	0.505	5	134.5402	1.158	9	134.5402	1.158	9	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,3|C<3>}	134.8050	0.000	1	134.8050	0.000	1	134.5402	1.158	9	134.5402	1.158	9	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	133.9465	0.517	2	133.9465	0.267	2	134.5402	1.158	9	134.5402	1.158	9	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	132.4470	0.000	1	132.4470	0.000	1	134.5402	1.158	9	134.5402	1.158	9	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	128.4670	0.000	1	128.4670	0.000	1	128.4670	0.000	1	131.5024	3.001	5	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){1|C<4>,4|C<3>}	132.2613	0.404	4	132.2613	0.163	4	132.2613	0.163	4	131.5024	3.001	5	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	132.0860	0.216	2	132.0860	0.047	2	132.0860	0.047	2	132.0860	0.047	2	131.0010	3.759	77	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5,5a]	3:3:3:	3:3:3:	4:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	132.4470	0.000	1	132.4470	0.000	1	132.4470	0.000	1	132.4470	0.000	1	132.4470	0.000	1	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	131.9895	0.357	2	131.9895	0.128	2	131.9895	0.128	2	131.9895	0.128	2	131.5053	0.767	3	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,5a]C[5a,5a]B[5a]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]FF){5|C<3>}	130.5370	0.000	1	130.5370	0.000	1	130.5370	0.000	1	130.5370	0.000	1	131.5053	0.767	3	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	134.5730	0.000	1	134.5730	0.000	1	134.5730	0.000	1	132.4327	12.283	3	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	134.3370	0.000	1	134.3370	0.000	1	134.3370	0.000	1	132.4327	12.283	3	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	128.3880	0.000	1	128.3880	0.000	1	128.3880	0.000	1	132.4327	12.283	3	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]B[6]){1|H<1>,1|N<2>,1|N<3>,2|F<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]N[6])(B[6]N[5a,6]FF){6|C<3>}	129.7435	0.254	2	129.7435	0.064	2	129.7435	0.064	2	131.1122	1.119	8	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	132.4125	0.070	2	132.4125	0.005	2	132.4125	0.005	2	131.1122	1.119	8	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	130.8415	0.012	2	130.9250	0.021	3	131.1465	0.210	4	131.1122	1.119	8	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	131.0920	0.000	1	130.9250	0.021	3	131.1465	0.210	4	131.1122	1.119	8	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6]){1|N<3>,1|O<1>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	131.8110	0.000	1	131.8110	0.000	1	131.1465	0.210	4	131.1122	1.119	8	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a,6]-4:N[6]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]N[6]){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a,6]O[5a]N[6]F)(N[6]C[5a,6]){1|S<4>,5|C<3>}	131.3720	0.000	1	131.3720	0.000	1	131.3720	0.000	1	131.3720	0.000	1	131.4640	3.292	12	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	134.2930	0.000	1	134.2930	0.000	1	132.5760	1.233	5	132.9455	1.806	6	132.9455	1.806	6	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	132.9830	0.000	1	132.9830	0.000	1	132.5760	1.233	5	132.9455	1.806	6	132.9455	1.806	6	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.8680	0.397	3	131.8680	0.157	3	132.5760	1.233	5	132.9455	1.806	6	132.9455	1.806	6	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	134.7930	0.000	1	134.7930	0.000	1	134.7930	0.000	1	132.9455	1.806	6	132.9455	1.806	6	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	130.2840	0.000	1	130.2840	0.000	1	130.2840	0.000	1	130.2840	0.000	1	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	128.4760	0.100	2	128.4760	0.010	2	128.4760	0.010	2	129.5232	1.605	9	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	130.0810	0.000	1	130.0810	0.000	1	130.0810	0.000	1	129.5232	1.605	9	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6,6a])(H){1|C<4>,2|N<2>,3|C<3>}	129.1535	0.541	2	129.1535	0.293	2	129.1535	0.293	2	129.5232	1.605	9	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a]){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	129.3040	0.710	3	129.3040	0.504	3	130.0923	2.821	4	129.5232	1.605	9	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	132.4570	0.000	1	132.4570	0.000	1	130.0923	2.821	4	129.5232	1.605	9	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]N[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(N[6a,6a]C[6a]2)(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	128.0730	0.000	1	128.0730	0.000	1	128.0730	0.000	1	128.0730	0.000	1	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	129.8570	0.000	1	129.8570	0.000	1	131.2332	1.960	4	131.2332	1.960	4	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|N<2>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	130.3270	0.000	1	130.3270	0.000	1	131.2332	1.960	4	131.2332	1.960	4	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	131.8450	0.000	1	131.8450	0.000	1	131.2332	1.960	4	131.2332	1.960	4	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H){3|C<3>}	132.9040	0.000	1	132.9040	0.000	1	131.2332	1.960	4	131.2332	1.960	4	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	133.2290	0.000	1	133.2290	0.000	1	133.2290	0.000	1	133.2290	0.000	1	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.1930	0.508	2	127.1930	0.258	2	127.1930	0.258	2	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,3|C<3>}	127.8180	0.000	1	127.8180	0.000	1	129.5662	1.498	4	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.1490	0.458	3	130.1490	0.209	3	129.5662	1.498	4	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	129.4050	0.000	1	129.4050	0.000	1	129.4050	0.000	1	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|O<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.1270	0.000	1	128.1270	0.000	1	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.2920	0.000	1	128.2920	0.000	1	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.3970	0.000	1	128.3970	0.000	1	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.7665	0.248	2	128.7665	0.062	2	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	126.5315	0.320	2	127.2918	0.845	4	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.8060	0.000	1	127.2918	0.845	4	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.2980	0.000	1	127.2918	0.845	4	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.1169	0.185	8	128.1169	0.034	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.3100	0.000	1	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.2500	0.000	1	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.1895	0.101	2	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.8300	0.000	1	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.0270	0.000	1	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.4225	0.583	2	128.4551	0.429	8	128.1637	0.432	25	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	127.4320	0.110	2	127.4320	0.012	2	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.4642	0.454	12	130.4642	0.206	12	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){5|C<3>}	130.7170	0.000	1	130.7170	0.000	1	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	131.0815	0.534	2	131.0815	0.285	2	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.6094	0.564	10	130.6094	0.318	10	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	131.3020	0.000	1	131.3020	0.000	1	130.3825	0.940	28	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]H){1|C<4>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.9370	0.000	1	131.9370	0.000	1	131.9370	0.000	1	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,5|C<3>}	128.7510	0.000	1	128.7510	0.000	1	128.7510	0.000	1	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	126.5665	0.868	4	126.5665	0.753	4	126.9206	0.499	8	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(H){6|C<3>}	127.2747	0.276	4	127.2747	0.076	4	126.9206	0.499	8	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	129.1980	0.000	1	129.1397	0.082	3	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	129.1105	0.400	2	129.1397	0.082	3	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.4800	0.133	2	128.4800	0.018	2	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(H){4|C<3>}	129.0620	0.000	1	129.0620	0.000	1	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	130.8870	0.000	1	130.8870	0.000	1	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	129.6995	0.057	2	129.6775	0.015	4	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	129.6555	0.196	2	129.6775	0.015	4	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(H){1|N<2>,3|C<3>}	130.4670	0.000	1	130.4670	0.000	1	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	131.1030	0.000	1	131.1030	0.000	1	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6,6a]N[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(H){3|C<3>}	131.4290	0.000	1	131.4290	0.000	1	129.7169	0.885	14	129.1542	2.204	84	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	131.9330	0.000	1	131.9330	0.000	1	135.3337	2.903	6	135.3337	2.903	6	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	135.6950	0.000	1	135.6950	0.000	1	135.3337	2.903	6	135.3337	2.903	6	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	135.9480	0.000	1	136.0935	0.171	4	135.3337	2.903	6	135.3337	2.903	6	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	136.1420	0.492	3	136.0935	0.171	4	135.3337	2.903	6	135.3337	2.903	6	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	131.7350	0.351	2	131.7350	0.123	2	131.7350	0.123	2	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,5a]C[6a]){1|H<1>,1|N<3>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	126.3080	0.000	1	126.3080	0.000	1	126.3080	0.000	1	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	129.3563	0.459	3	129.3563	0.211	3	129.9305	1.459	4	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])(C[6a]C[6a]2){2|C<4>,7|C<3>}	131.6530	0.000	1	131.6530	0.000	1	129.9305	1.459	4	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.5675	1.036	2	127.5675	1.073	2	127.5675	1.073	2	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	131.6665	0.533	4	131.6665	0.284	4	131.7821	0.211	72	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	131.7845	0.472	61	131.7845	0.223	61	131.7821	0.211	72	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	132.0000	0.000	1	132.0000	0.000	1	131.7821	0.211	72	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	131.7980	0.358	6	131.7980	0.128	6	131.7821	0.211	72	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO){1|H<1>,5|C<3>}	130.3340	0.000	1	130.3340	0.000	1	130.3340	0.000	1	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.4045	0.620	2	130.4045	0.385	2	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	130.0260	0.212	2	130.0260	0.045	2	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.6240	0.000	1	130.6240	0.000	1	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	130.1460	0.000	1	130.5007	0.356	3	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.1660	0.000	1	130.5007	0.356	3	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	131.1900	0.000	1	130.5007	0.356	3	130.3734	0.214	8	131.4029	1.194	90	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	129.5400	0.000	1	129.5400	0.000	1	129.5400	0.000	1	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	131.8520	0.000	1	131.8520	0.000	1	131.0920	0.465	3	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a]C){1|Ir<9>,1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]Ir)(CH3){1|C<4>,3|C<3>}	130.7120	0.253	2	130.7120	0.064	2	131.0920	0.465	3	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	128.5810	0.000	1	128.5810	0.000	1	128.5810	0.000	1	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	127.0350	0.000	1	127.0350	0.000	1	127.0350	0.000	1	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	127.6740	0.000	1	127.6740	0.000	1	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	129.2190	0.740	2	129.2190	0.547	2	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	130.5100	0.000	1	130.5100	0.000	1	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	130.2270	0.000	1	130.2270	0.000	1	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	130.7810	0.000	1	130.7810	0.000	1	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	129.5120	0.000	1	129.9168	0.283	4	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	130.3715	0.134	2	129.9168	0.283	4	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	129.4120	0.000	1	129.9168	0.283	4	129.7297	0.916	10	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	124.4600	0.000	1	124.4600	0.000	1	126.1330	5.598	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	127.8060	0.000	1	127.8060	0.000	1	126.1330	5.598	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	129.7110	0.037	2	129.7110	0.001	2	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	132.2065	0.315	2	132.2065	0.099	2	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])(CCHH){1|S<2>,4|C<3>}	132.5195	0.312	8	132.5195	0.098	8	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	132.7040	0.198	2	132.7040	0.039	2	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	132.2025	0.026	4	132.2025	0.001	4	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]C){1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CH3){3|C<3>}	132.3940	0.000	1	132.3940	0.000	1	132.1370	0.806	19	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	131.7900	0.000	1	132.4955	0.995	2	132.4955	0.995	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]O[6a])(N[5a]C[5a,6]C){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	133.2010	0.000	1	132.4955	0.995	2	132.4955	0.995	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	126.2640	0.000	1	127.9393	0.381	12	127.7398	0.583	14	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	128.0916	0.335	11	127.9393	0.381	12	127.7398	0.583	14	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])2(CCHH){6|C<3>}	126.5425	0.204	2	126.5425	0.042	2	127.7398	0.583	14	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|C<4>,3|C<3>}	131.0480	0.000	2	131.0480	0.000	2	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	130.0050	0.000	1	130.0050	0.000	1	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){4|C<3>}	131.1700	0.000	1	130.9350	0.110	2	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|N<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	130.7000	0.000	1	130.9350	0.110	2	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	133.1980	0.823	5	133.2797	0.582	6	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	133.6880	0.000	1	133.2797	0.582	6	132.1499	2.066	11	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[3]){1|C<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[3]C[3]2H){4|C<3>,4|H<1>}	129.9160	0.000	1	129.9160	0.000	1	129.9160	0.000	1	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,3|C<3>}	130.5445	0.483	2	130.5445	0.233	2	130.5445	0.233	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	132.0760	0.086	2	132.0760	0.007	2	132.0760	0.007	2	130.4457	4.722	69	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2){2|C<4>,9|C<3>}	130.9600	0.000	1	130.9600	0.000	1	130.9600	0.000	1	130.9600	0.000	1	130.4555	3.899	266	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	130.8380	0.000	1	130.8380	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[3x5]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	130.6110	0.000	1	130.6110	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	130.6130	0.000	1	130.6130	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	131.4120	0.000	1	131.4120	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]N[5]O){1|O<2>,2|H<1>,4|C<3>}	131.0280	0.000	1	131.0280	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]B[5])(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	131.8305	0.025	2	131.8305	0.001	2	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	131.4280	0.000	1	130.6528	0.569	5	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	130.3800	0.000	1	130.6528	0.569	5	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|P<4>,3|H<1>,4|C<3>}	129.5620	0.000	1	130.6528	0.569	5	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	130.6030	0.000	1	130.6528	0.569	5	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	131.2910	0.000	1	130.6528	0.569	5	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){3|H<1>,4|C<3>}	131.1540	0.000	1	131.2157	0.012	3	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	131.3400	0.000	1	131.2157	0.012	3	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	131.1530	0.000	1	131.2157	0.012	3	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<4>,3|C<3>}	129.3130	0.000	1	129.3130	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]Se[5])(C[5]C[5]Se){2|H<1>,3|C<3>}	131.4430	0.434	2	131.4430	0.188	2	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|C<4>,1|H<1>,2|C<3>}	131.9650	0.000	1	131.9650	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S){1|H<1>,4|C<3>}	134.4680	0.000	1	134.4680	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]S[5]N){1|H<1>,3|C<3>}	131.6800	0.000	1	131.6800	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	132.5510	0.435	3	132.5510	0.189	3	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	133.3770	0.000	1	133.3770	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]N[5])(C[5]S[5]N){1|H<1>,2|C<3>}	127.5530	0.000	1	127.5530	0.000	1	131.3065	1.778	26	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5])	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]B[5a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|H<1>,5|C<3>}	126.5645	0.425	4	126.5645	0.181	4	126.5645	0.181	4	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|C<4>,2|H<1>,6|C<3>}	130.7540	0.000	1	130.9475	0.277	4	131.5072	1.774	5	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){3|H<1>,6|C<3>}	130.3160	0.000	1	130.9475	0.277	4	131.5072	1.774	5	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	131.1970	0.000	1	130.9475	0.277	4	131.5072	1.774	5	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|O<1>,3|H<1>,4|C<3>}	131.5230	0.000	1	130.9475	0.277	4	131.5072	1.774	5	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5]){1|O<1>,2|H<1>,4|C<3>}	133.7460	0.000	1	133.7460	0.000	1	131.5072	1.774	5	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H)	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H)	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>,2|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]N[5a,6a]C[6a])(C[5,5a]B[5a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>,3|C<4>}	126.1380	0.615	2	126.1380	0.378	2	126.1380	0.378	2	130.5416	4.844	37	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[3,5]C[5a])(C[5]C[3,5]HH){1|C<4>,2|H<1>,4|C<3>}	129.9960	0.000	1	129.9960	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	131.1100	0.242	2	131.0680	0.035	3	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.9840	0.000	1	131.0680	0.035	3	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){2|C<3>,3|C<4>,3|H<1>}	130.5180	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	130.7930	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	131.3790	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	131.5810	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	131.2850	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	131.3210	0.000	1	131.1462	0.162	6	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH){1|H<1>,5|C<3>}	131.0650	0.000	1	131.0650	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<2>,2|C<3>,5|H<1>}	130.2925	0.015	2	130.2512	0.200	5	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|C<4>,3|H<1>,4|C<3>}	130.3870	0.000	1	130.2512	0.200	5	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	130.7560	0.000	1	130.2512	0.200	5	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HH){3|C<3>,5|H<1>}	129.5280	0.000	1	130.2512	0.200	5	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5]HN){1|C<4>,3|H<1>,4|C<3>}	130.5010	0.000	1	130.5010	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	130.8790	0.000	1	131.1480	0.386	10	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	131.4950	0.000	1	131.1480	0.386	10	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|C<4>,3|H<1>,6|C<3>}	131.2024	0.262	5	131.1480	0.386	10	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	131.7180	0.349	2	131.1480	0.386	10	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[5a]C[5]H){4|H<1>,6|C<3>}	129.6580	0.000	1	131.1480	0.386	10	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|Br<1>,1|O<1>,3|H<1>,4|C<3>}	130.6670	0.000	1	129.8243	0.379	9	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){3|H<1>,6|C<3>}	129.4588	0.464	5	129.8243	0.379	9	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	129.9400	0.000	1	129.8243	0.379	9	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]H){5|C<3>,5|H<1>}	130.2590	0.635	2	129.8243	0.379	9	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]CH){2|C<3>,2|C<4>,2|H<1>}	131.3440	0.000	1	131.3440	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,4|C<3>,4|H<1>}	130.8643	0.313	3	130.8643	0.098	3	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	132.0800	0.000	1	132.0800	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	133.1110	0.000	1	133.1110	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	133.1340	0.000	1	133.1340	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	134.1410	0.000	1	134.1410	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	133.1930	0.000	1	133.1930	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]S[5]H){3|H<1>,4|C<3>}	132.8686	0.609	7	132.8686	0.371	7	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	132.4220	0.000	1	132.4220	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]N[5])(C[5]C[6a]C[5]H){1|S<4>,3|H<1>,4|C<3>}	133.0790	0.000	1	133.0790	0.000	1	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	133.1945	0.050	2	132.8752	0.137	4	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	132.5560	0.033	2	132.8752	0.137	4	131.3703	1.576	58	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:4:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5,5]C[5]2N[5]){2|C<4>,5|H<1>,6|C<3>}	131.6790	0.000	1	131.6790	0.000	1	131.6790	0.000	1	131.3755	1.550	59	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,6]-4:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,5a]C[5a]C[5]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	130.5700	0.000	1	130.5700	0.000	1	130.5700	0.000	1	130.5700	0.000	1	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	132.8610	0.000	1	132.8610	0.000	1	132.8610	0.000	1	132.8610	0.000	1	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:2:	3:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5]){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	134.6540	0.000	1	134.6540	0.000	1	134.6540	0.000	1	134.6540	0.000	1	131.1038	3.024	99	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	129.1030	0.557	2	128.7070	0.626	3	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	127.9150	0.000	1	128.7070	0.626	3	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	134.0480	0.000	1	134.0480	0.000	1	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	133.1860	0.000	1	133.1860	0.000	1	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	132.8550	0.000	1	132.8550	0.000	1	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	135.1910	0.000	1	135.1910	0.000	1	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	127.8430	0.000	1	127.8430	0.000	1	131.1555	8.839	8	131.1555	8.839	8	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]F)(F){1|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	132.0330	0.544	3	132.0330	0.296	3	131.6450	0.799	4	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|F<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]O)(F){1|F<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(C[5a]C[5a]C){1|F<1>,2|H<1>,3|C<3>}	130.4810	0.000	1	130.4810	0.000	1	131.6450	0.799	4	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,5|C<3>}	133.4300	0.000	1	133.4300	0.000	1	133.4300	0.000	1	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6]){2|Cl<1>,3|H<1>,4|C<3>}	131.9950	0.000	1	131.9950	0.000	1	131.9950	0.000	1	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	131.6490	0.000	1	131.6490	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(C[5a]C[5a]S){2|H<1>,3|C<3>}	131.6610	0.000	1	131.6610	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	131.8660	0.000	1	131.8660	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){2|H<1>,3|C<3>}	132.1880	0.000	1	132.1880	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]N){1|C<4>,1|H<1>,3|C<3>}	132.8930	0.000	1	132.8930	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	131.3320	0.000	1	131.3320	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]S[5a]S){1|H<1>,3|C<3>}	132.8500	0.000	1	132.8500	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	133.9860	0.000	1	133.9860	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	132.6100	0.000	1	132.6100	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]N[5a]C){1|H<1>,3|C<3>}	133.1780	0.000	1	133.1780	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	132.9495	0.438	2	132.9495	0.192	2	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	133.0730	0.000	1	133.0730	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	132.2420	0.352	4	132.2420	0.124	4	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	132.5797	0.140	3	132.5797	0.020	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	134.6650	0.528	2	134.6650	0.278	2	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]S[5a])(C[5a]C[5a,6]C){1|C<4>,1|H<1>,3|C<3>}	129.7043	0.506	3	129.7043	0.256	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	130.2560	0.000	1	130.2560	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	128.5770	0.010	2	128.8887	0.291	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	129.5120	0.000	1	128.8887	0.291	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	128.6590	0.000	1	128.6590	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	128.1665	0.510	2	127.8147	0.501	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	127.1110	0.000	1	127.8147	0.501	3	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]S){1|H<1>,3|C<3>}	128.7920	0.000	1	128.7920	0.000	1	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	129.3225	0.687	2	128.8750	0.407	5	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	128.0650	0.000	1	128.8750	0.407	5	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	128.8325	0.308	2	128.8750	0.407	5	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C[3]){2|C<3>,2|C<4>,2|H<1>}	128.6475	0.018	2	128.6475	0.000	2	130.9225	4.414	41	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	129.9015	0.794	8	129.9752	0.600	9	130.3322	1.115	11	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	130.5650	0.000	1	129.9752	0.600	9	130.3322	1.115	11	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a,6a]-3:	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H){4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a,6a]C[5a,6a]2){2|H<1>,6|C<3>}	131.9385	0.210	2	131.9385	0.044	2	130.3322	1.115	11	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a]){3|H<1>,5|C<3>}	130.3870	0.000	1	130.3870	0.000	1	132.6435	5.061	4	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	134.5785	0.015	2	134.5785	0.000	2	132.6435	5.061	4	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a,5a]C[5a]N[5a]){3|H<1>,5|C<3>}	131.0300	0.000	1	131.0300	0.000	1	132.6435	5.061	4	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(N[5a,5a]N[5a]2){1|H<1>,4|C<3>}	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-3:B[5a]-3:	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a])	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|B<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]B[5a]C[5a])(B[5a]C[5a]C[6a]){1|H<1>,7|C<3>}	126.3810	0.000	1	126.3810	0.000	1	126.3810	0.000	1	130.9517	3.989	64	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a,5a]CC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.9850	0.000	1	129.9850	0.000	1	129.9850	0.000	1	130.0056	0.518	5	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[5]C){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	130.3270	0.000	1	130.3270	0.000	1	130.0108	0.691	4	130.0056	0.518	5	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	129.4600	0.000	1	129.9053	0.970	3	130.0108	0.691	4	130.0056	0.518	5	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	131.0340	0.000	1	129.9053	0.970	3	130.0108	0.691	4	130.0056	0.518	5	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:B[5a]-4:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2){2|H<1>,8|C<3>}	129.2220	0.000	1	129.9053	0.970	3	130.0108	0.691	4	130.0056	0.518	5	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[5a,5a]-3:	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]2N[5a])(C[5a,5a]C[5a]2){3|H<1>,7|C<3>}	129.2045	0.875	2	129.2045	0.765	2	129.2045	0.765	2	129.2045	0.765	2	130.8682	4.184	79	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	128.6840	0.000	1	128.6840	0.000	1	128.6840	0.000	1	128.6840	0.000	1	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	129.9000	0.000	1	129.9000	0.000	1	129.9000	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	133.8600	0.000	1	133.8600	0.000	1	133.8600	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]C){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	131.4020	0.000	1	131.4020	0.000	1	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	130.1980	0.088	2	130.1980	0.008	2	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.5426	0.255	5	130.5426	0.065	5	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.3490	0.000	1	130.1810	0.112	3	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	130.0970	0.427	2	130.1810	0.112	3	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]){3|C<4>,3|H<1>,4|C<3>}	131.2610	0.000	1	131.2610	0.000	1	130.5262	0.216	12	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	128.4010	0.000	1	128.4010	0.000	1	128.4010	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]H){1|C<4>,2|H<1>,5|C<3>}	129.4320	0.269	4	129.4320	0.072	4	128.6542	1.505	6	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-3:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5])	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(B[6]N[5,6]N[5]){1|H<1>,6|C<3>}	127.0985	0.223	2	127.0985	0.050	2	128.6542	1.505	6	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	129.4580	0.000	1	129.4580	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	130.5460	0.000	1	130.5460	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	130.2990	0.000	1	130.2990	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.3510	0.000	1	129.3510	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	130.9530	0.013	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	130.7680	0.127	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	129.8660	0.000	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	130.5960	0.276	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){2|C<3>,3|H<1>,4|C<4>}	130.9000	0.000	1	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	131.1515	1.445	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	130.5715	0.148	2	130.6702	0.352	13	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	131.6460	0.000	1	131.3190	0.214	2	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	130.9920	0.000	1	131.3190	0.214	2	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	130.6220	0.000	1	130.6220	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6,6]O){2|C<3>,3|H<1>,4|C<4>}	130.8590	0.000	1	130.8590	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	131.7130	0.000	1	131.7130	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	131.6200	0.000	1	131.0350	0.179	5	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	130.8780	0.380	3	131.0350	0.179	5	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	130.9210	0.000	1	131.0350	0.179	5	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	128.3950	0.000	1	128.3950	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	131.8340	0.000	1	131.8340	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	133.9120	0.000	1	133.9120	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]N[6]N){1|H<1>,4|C<3>}	133.6330	0.000	1	133.6330	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,1|S<2>,4|C<3>}	134.4440	0.000	1	134.4440	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	133.6510	0.000	1	133.6510	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	132.2090	0.000	1	132.2090	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	132.5887	0.272	3	132.7458	0.090	5	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	132.9815	0.168	2	132.7458	0.090	5	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|I<1>,7|C<3>}	133.6003	0.436	3	133.6003	0.190	3	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	133.4390	0.000	1	133.4390	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	131.9880	0.000	1	131.9880	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	134.3110	0.000	1	134.3110	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	132.7160	0.000	1	132.7160	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|S<2>,4|C<3>,4|H<1>}	133.5470	0.000	1	133.5470	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	132.7600	0.000	1	132.7600	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]N){1|H<1>,4|C<3>}	132.9290	0.000	1	132.9290	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	132.6660	0.000	1	132.6660	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]){1|Se<2>,1|C<4>,1|H<1>,4|C<3>}	133.4083	0.254	3	133.4083	0.064	3	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|S<2>,6|C<3>}	132.9730	0.000	1	132.9730	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	134.3430	0.000	1	134.3430	0.000	1	131.8887	2.200	55	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:S-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	130.7400	0.000	1	130.7400	0.000	1	130.7400	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	130.1180	0.000	1	130.1180	0.000	1	130.1180	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	132.2300	0.000	1	132.2300	0.000	1	132.2300	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){2|C<4>,3|H<1>,5|C<3>}	131.8810	0.000	1	131.8810	0.000	1	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]C[5a]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	132.2910	0.000	1	132.2910	0.000	1	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	132.0350	0.585	2	132.0350	0.343	2	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	132.3280	0.182	2	132.2695	0.064	4	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	132.2110	0.380	2	132.2695	0.064	4	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6]){1|C<4>,3|H<1>,5|C<3>}	132.3010	0.000	1	132.3010	0.000	1	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]Si[6]){2|H<1>,3|C<4>,5|C<3>}	130.4850	0.000	1	130.4850	0.000	1	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	131.3450	0.000	1	131.3450	0.000	1	131.9501	0.371	11	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	134.0910	0.000	1	134.0910	0.000	1	134.0910	0.000	1	131.4605	2.559	91	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	133.9360	0.000	1	133.9360	0.000	1	133.1637	0.242	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	132.7400	0.000	1	133.0055	0.141	2	133.1637	0.242	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	133.2710	0.000	1	133.0055	0.141	2	133.1637	0.242	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[5,6]FF){1|H<1>,5|C<3>}	132.9277	0.583	3	132.9277	0.340	3	133.1637	0.242	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	133.2900	0.164	2	133.2900	0.027	2	133.1637	0.242	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S[6]-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO){1|H<1>,6|C<3>}	132.4090	0.000	1	132.4090	0.000	1	132.4090	0.000	1	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]N[6])(B[6]N[6,6]FF){1|H<1>,5|C<3>}	127.5200	0.150	2	127.5200	0.022	2	127.5200	0.022	2	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	129.3390	0.000	1	129.3390	0.000	1	129.3390	0.000	1	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]CO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.3740	0.000	1	130.3740	0.000	1	130.1210	0.067	10	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HN){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.4640	0.000	1	130.4640	0.000	1	130.1210	0.067	10	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	130.0540	0.273	6	130.0540	0.074	6	130.1210	0.067	10	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	130.0240	0.003	2	130.0240	0.000	2	130.1210	0.067	10	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	125.9990	0.000	1	125.9990	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	129.4080	0.000	1	129.4080	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	130.1710	0.000	1	130.1710	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	128.8120	0.000	1	128.8120	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	128.7390	0.000	1	128.7390	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	128.2600	0.000	1	128.3240	0.008	2	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	128.3880	0.000	1	128.3240	0.008	2	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	128.1210	0.000	1	128.1210	0.000	1	128.4872	1.463	8	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	128.8000	0.707	2	128.8267	0.252	3	129.6424	1.389	5	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	128.8800	0.000	1	128.8267	0.252	3	129.6424	1.389	5	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	130.8660	0.246	2	130.8660	0.061	2	129.6424	1.389	5	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	127.2971	0.230	7	127.2682	0.048	10	127.6251	1.031	16	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(B[6]N[6]FF){1|H<1>,2|N<3>,4|C<3>}	127.2007	0.216	3	127.2682	0.048	10	127.6251	1.031	16	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	129.5820	0.338	3	129.5820	0.114	3	127.6251	1.031	16	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	126.8577	0.375	3	126.8577	0.141	3	127.6251	1.031	16	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	129.0623	0.296	4	129.0623	0.088	4	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	129.8220	0.000	1	129.5385	0.161	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	129.2550	0.000	1	129.5385	0.161	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[5,6]HH){2|C<3>,2|C<4>,5|H<1>}	130.2670	0.000	1	130.2670	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	130.0560	0.000	1	130.2865	0.106	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	130.5170	0.000	1	130.2865	0.106	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	132.6150	0.000	1	132.6150	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	129.7570	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.8270	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	129.7050	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	130.1390	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	130.5590	0.150	2	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	130.8410	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	129.8690	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	128.8480	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	129.8070	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	130.3280	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	129.8730	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	129.5350	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	129.3880	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|I<1>,5|C<3>}	129.7990	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	129.5390	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	129.5180	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,5|H<1>}	129.4470	0.000	1	129.8521	0.238	18	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	131.4640	0.190	2	131.4640	0.036	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	129.9095	0.118	2	129.9095	0.014	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	129.0450	0.000	1	129.0450	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	129.7987	0.180	3	129.7987	0.032	3	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	129.9990	0.000	1	130.0590	0.094	5	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	129.8905	0.186	2	130.0590	0.094	5	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	130.2575	0.450	2	130.0590	0.094	5	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	130.3670	0.000	1	130.3670	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	131.4940	0.035	2	131.4940	0.001	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	130.0530	0.000	1	130.3235	0.146	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	130.5940	0.000	1	130.3235	0.146	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	131.3170	0.000	1	131.3170	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH){1|N<3>,3|C<3>,3|H<1>}	132.8800	0.000	1	132.8800	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	132.0460	0.595	2	131.7845	0.502	6	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	131.6538	0.807	4	131.7845	0.502	6	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	133.0310	0.000	1	133.0310	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	132.3330	0.000	1	132.3330	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	131.2720	0.000	1	131.2720	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,5|C<3>}	132.2895	0.097	2	132.2895	0.009	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	133.4780	0.170	3	133.4780	0.029	3	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	134.4260	0.000	1	134.4260	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,5|C<3>}	132.4730	0.000	1	132.5774	0.935	11	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	132.5878	1.018	10	132.5774	0.935	11	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	132.0060	0.000	1	132.0060	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,5|H<1>}	132.6700	0.000	1	132.6700	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]FF){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	132.9430	0.000	1	132.9430	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	131.8940	0.000	1	131.8940	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	132.3940	0.000	1	132.2420	0.032	3	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	132.1660	0.170	2	132.2420	0.032	3	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.8500	0.000	1	131.8500	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.7360	0.000	1	131.7360	0.000	1	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	131.1025	0.564	2	131.1025	0.318	2	131.0937	2.019	85	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	132.8550	0.000	1	132.8550	0.000	1	132.8550	0.000	1	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|C<3>,3|H<1>,6|C<4>}	130.5160	0.000	1	130.4505	0.009	2	130.4505	0.009	2	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-4:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6,6]C[3x6]N[6]H){2|H<1>,3|C<3>,6|C<4>}	130.3850	0.000	1	130.4505	0.009	2	130.4505	0.009	2	130.4902	3.536	139	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]F)(C[6]C[6]C){2|H<1>,4|C<3>}	132.7940	0.000	1	132.7940	0.000	1	132.4384	0.710	5	131.5346	1.261	10	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O)(C[6]C[6]C){2|H<1>,4|C<3>}	133.1340	0.017	2	133.1340	0.000	2	132.4384	0.710	5	131.5346	1.261	10	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|O<2>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]F)(C[6]C[6,6a]H){1|H<1>,4|C<3>}	131.5650	0.471	2	131.5650	0.222	2	132.4384	0.710	5	131.5346	1.261	10	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){1|S<4>,3|C<3>,3|H<1>,4|C<4>}	130.3830	0.057	2	130.6308	0.085	5	130.6308	0.085	5	131.5346	1.261	10	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6,6]-4:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6]N[6]H)(C[5a,6]C[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	130.7960	0.255	3	130.6308	0.085	5	130.6308	0.085	5	131.5346	1.261	10	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	130.8000	0.000	1	130.8355	0.003	2	130.8355	0.003	2	131.5988	0.582	6	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6]-4:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,1|O<2>,2|C<3>}	N[5a,6](B[5a,6]C[6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,6|C<3>}	130.8710	0.000	1	130.8355	0.003	2	130.8355	0.003	2	131.5988	0.582	6	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	131.0730	0.000	1	131.0730	0.000	1	131.9805	0.387	4	131.5988	0.582	6	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	132.2740	0.247	2	132.2830	0.031	3	131.9805	0.387	4	131.5988	0.582	6	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	132.3010	0.000	1	132.2830	0.031	3	131.9805	0.387	4	131.5988	0.582	6	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	130.2390	0.000	1	130.2390	0.000	1	130.2390	0.000	1	130.2390	0.000	1	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	130.4460	0.000	1	130.4460	0.000	1	131.2095	1.166	2	131.2095	1.166	2	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(OC){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	131.9730	0.000	1	131.9730	0.000	1	131.2095	1.166	2	131.2095	1.166	2	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)2{1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	131.2870	0.000	1	131.2870	0.000	1	130.8825	0.327	2	130.8825	0.327	2	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	130.4780	0.000	1	130.4780	0.000	1	130.8825	0.327	2	130.8825	0.327	2	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]C){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(CH3){1|B<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	128.9234	0.415	5	128.9234	0.172	5	128.9234	0.172	5	128.9234	0.172	5	130.8705	3.197	257	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	124.9670	1.011	2	124.9670	1.022	2	124.9670	1.022	2	127.8690	11.612	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	131.0220	0.000	1	130.7710	0.126	2	130.7710	0.126	2	127.8690	11.612	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	130.5200	0.000	1	130.7710	0.126	2	130.7710	0.126	2	127.8690	11.612	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	135.2510	0.000	1	135.2510	0.000	1	134.6420	0.742	2	134.6420	0.742	2	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	134.0330	0.000	1	134.0330	0.000	1	134.6420	0.742	2	134.6420	0.742	2	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	130.1600	0.000	1	130.1600	0.000	1	131.3433	0.818	4	131.3433	0.818	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	132.3520	0.000	1	132.3520	0.000	1	131.3433	0.818	4	131.3433	0.818	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	131.4305	0.149	2	131.4305	0.022	2	131.3433	0.818	4	131.3433	0.818	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	133.0650	0.000	1	133.0650	0.000	1	133.0650	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	126.9650	0.000	1	126.9650	0.000	1	126.9650	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	129.6460	0.000	1	129.6460	0.000	1	129.6460	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	131.3520	0.000	1	131.3520	0.000	1	131.3520	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	131.5270	0.000	1	131.5270	0.000	1	131.5270	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F){1|O<1>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	135.2810	0.000	1	135.2810	0.000	1	135.2810	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	131.0765	0.716	2	131.0765	0.513	2	131.0765	0.513	2	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	130.7480	0.000	1	130.7480	0.000	1	130.7480	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	134.5555	0.126	4	134.5555	0.016	4	134.5968	0.021	5	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	134.7620	0.000	1	134.7620	0.000	1	134.5968	0.021	5	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	129.8270	0.000	1	129.8270	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	131.8090	0.242	3	131.8253	0.040	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	131.8740	0.000	1	131.8253	0.040	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	132.5440	0.000	1	132.5440	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	129.7430	0.124	2	129.5405	0.066	6	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	129.1380	0.000	1	129.5405	0.066	6	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	129.3990	0.000	1	129.5405	0.066	6	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	129.4690	0.000	1	129.5405	0.066	6	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	129.7510	0.000	1	129.5405	0.066	6	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	130.7947	0.126	3	130.8467	0.021	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	131.0030	0.000	1	130.8467	0.021	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	130.4750	0.000	1	130.4750	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	131.4530	0.000	1	131.4530	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	130.5400	0.000	1	130.5400	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	133.3700	0.000	1	133.3700	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	129.3390	0.000	1	129.4705	0.035	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	129.6020	0.000	1	129.4705	0.035	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	131.6520	0.000	1	131.6520	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	133.2440	0.000	1	133.2440	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	131.1690	0.000	1	131.1690	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	131.5680	0.000	1	131.5680	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	133.7270	0.198	2	133.7270	0.039	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.5450	0.000	1	133.5450	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,3|C<3>}	133.6195	0.313	2	133.6195	0.098	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	131.9870	0.316	3	131.9870	0.100	3	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	133.5390	0.000	1	133.8975	0.257	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	134.2560	0.000	1	133.8975	0.257	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	134.3140	1.358	2	134.3140	1.843	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.7940	0.325	3	131.9197	0.134	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	132.2970	0.000	1	131.9197	0.134	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	132.7910	0.000	1	132.7910	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	132.2930	0.000	1	132.2930	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	133.7220	0.089	2	133.7220	0.008	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	134.2170	0.000	1	134.2170	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	130.1890	0.000	1	131.0780	1.581	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	131.9670	0.000	1	131.0780	1.581	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	133.5365	0.467	4	133.5365	0.218	4	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	132.1200	0.000	1	132.1200	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	132.9900	0.000	1	132.9975	0.000	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	133.0050	0.000	1	132.9975	0.000	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	132.2840	0.000	1	132.2840	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	132.5530	0.000	1	132.5530	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	131.7290	0.000	1	131.7290	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	133.5140	0.208	2	133.5140	0.043	2	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	133.0960	0.000	1	133.0960	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	132.8750	0.000	1	132.8750	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	133.0440	0.000	1	133.0440	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	133.1280	0.000	1	133.1280	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	128.8870	0.000	1	128.8870	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	127.5990	0.000	1	127.5990	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	127.7880	0.000	1	127.7880	0.000	1	131.9439	2.785	68	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	131.8240	0.395	3	131.9116	0.514	9	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	131.6035	0.861	4	131.9116	0.514	9	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	132.4920	0.000	1	131.9116	0.514	9	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	132.8260	0.000	1	131.9116	0.514	9	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){2|H<1>,6|C<3>}	131.9240	0.000	1	132.0250	0.020	2	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a]){1|C<4>,3|H<1>,5|C<3>}	132.1260	0.000	1	132.0250	0.020	2	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	131.1520	0.000	1	131.0070	0.042	2	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	130.8620	0.000	1	131.0070	0.042	2	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	133.3380	0.000	1	133.3380	0.000	1	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a]){2|H<1>,5|C<3>}	133.2930	0.000	1	133.2930	0.000	1	131.9933	0.691	15	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,7|C<3>}	130.6760	0.000	1	130.6760	0.000	1	130.6760	0.000	1	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	131.7290	0.000	1	131.7290	0.000	1	131.7640	0.055	3	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	131.7815	0.327	2	131.7815	0.107	2	131.7640	0.055	3	131.9978	2.795	101	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	130.1693	0.198	3	130.1693	0.039	3	130.1693	0.039	3	130.1693	0.039	3	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	131.8223	0.346	3	131.8223	0.120	3	131.8223	0.120	3	132.2529	0.422	9	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2{1|C<2>,1|N<2>,2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	132.5138	0.748	5	132.4682	0.461	6	132.4682	0.461	6	132.2529	0.422	9	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){1|C<2>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)2{1|C<2>,1|N<2>,2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	132.2400	0.000	1	132.4682	0.461	6	132.4682	0.461	6	132.2529	0.422	9	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	131.6825	0.303	2	131.6825	0.092	2	131.6535	0.039	4	131.6535	0.039	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(CH3){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	131.6245	0.142	2	131.6245	0.020	2	131.6535	0.039	4	131.6535	0.039	4	131.8528	3.281	127	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	129.9640	0.000	1	129.9640	0.000	1	129.9640	0.000	1	129.9640	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|N<2>}	137.0280	0.000	1	137.0280	0.000	1	137.0280	0.000	1	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	130.0880	0.000	1	130.0880	0.000	1	132.0408	5.409	6	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,2|N<2>}	133.0995	0.237	2	133.0995	0.056	2	132.0408	5.409	6	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	130.1060	0.000	1	130.1060	0.000	1	132.0408	5.409	6	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	130.1310	0.000	1	130.1310	0.000	1	132.0408	5.409	6	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|N<2>}	135.7210	0.000	1	135.7210	0.000	1	132.0408	5.409	6	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	129.0817	1.403	3	130.0216	1.050	9	130.0216	1.050	9	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.8405	0.066	2	130.0216	1.050	9	130.0216	1.050	9	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.4310	0.253	2	130.0216	1.050	9	130.0216	1.050	9	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.2030	0.003	2	130.0216	1.050	9	130.0216	1.050	9	131.2167	5.743	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<3>,1|N<2>,2|H<1>}	131.6850	0.000	1	131.6850	0.000	1	131.6850	0.000	1	131.0477	1.097	3	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2){1|N<2>,2|H<1>,3|C<3>}	129.8390	0.000	1	129.8390	0.000	1	130.7290	1.584	2	131.0477	1.097	3	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,2|H<1>,3|C<3>}	131.6190	0.000	1	131.6190	0.000	1	130.7290	1.584	2	131.0477	1.097	3	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	135.3470	0.000	1	135.3470	0.000	1	135.3470	0.000	1	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|Br<1>,1|Cl<1>,2|N<2>}	135.5765	0.255	2	135.5765	0.065	2	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|Cl<1>,2|N<2>}	137.5660	0.000	1	137.5660	0.000	1	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|Cl<1>,2|N<2>}	137.6340	0.000	1	137.6340	0.000	1	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[4]HH){1|Cl<1>,2|N<2>}	138.5670	0.000	1	138.5670	0.000	1	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|N<2>}	137.9530	0.000	1	137.9530	0.000	1	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|N<2>}	137.0510	0.000	1	137.0510	0.000	1	137.1320	1.347	7	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:I-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|I<1>,2|N<2>}	137.7700	0.000	1	137.7700	0.000	1	137.7700	0.000	1	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	132.8670	0.000	1	132.8670	0.000	1	132.8670	0.000	1	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	126.1587	0.540	3	126.1587	0.291	3	126.1587	0.291	3	133.9368	22.287	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]Cl){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<2>}	137.8195	0.115	2	137.8195	0.013	2	137.8195	0.013	2	137.8195	0.013	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	135.5460	0.000	1	135.5460	0.000	1	136.0355	0.151	4	135.9042	0.133	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<2>,2|N<2>}	136.1560	0.352	2	136.1560	0.124	2	136.0355	0.151	4	135.9042	0.133	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|C<2>,2|N<2>}	136.2840	0.000	1	136.2840	0.000	1	136.0355	0.151	4	135.9042	0.133	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<2>,2|N<2>}	135.6710	0.000	1	135.6710	0.000	1	135.6415	0.002	2	135.9042	0.133	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|C<3>,1|C<4>,1|I<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<2>,2|N<2>}	135.6120	0.000	1	135.6120	0.000	1	135.6415	0.002	2	135.9042	0.133	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|C<3>}	130.9710	0.257	2	130.9710	0.066	2	130.9710	0.066	2	130.9710	0.066	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	130.3420	0.000	1	130.3420	0.000	1	130.3420	0.000	1	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	136.3169	1.506	7	136.3169	2.268	7	135.9551	2.229	9	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	134.6890	0.320	2	134.6890	0.102	2	135.9551	2.229	9	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	131.0530	0.000	1	131.0530	0.000	1	131.2007	0.113	7	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	131.4385	0.188	4	131.4385	0.035	4	131.2007	0.113	7	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	130.7990	0.016	2	130.7990	0.000	2	131.2007	0.113	7	133.6672	7.454	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	135.7040	0.000	1	135.7040	0.000	1	135.7040	0.000	1	135.7040	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|N<2>}	135.6760	0.000	1	135.6760	0.000	1	135.6760	0.000	1	135.6760	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	137.5970	0.000	1	137.5970	0.000	1	137.5970	0.000	1	137.5970	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	131.8110	0.000	1	131.8110	0.000	1	131.8110	0.000	1	131.8110	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CF3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|N<2>}	135.2930	0.000	1	135.2930	0.000	1	130.8621	6.338	9	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	129.6860	0.000	1	129.6860	0.000	1	130.8621	6.338	9	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[6a]HH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	129.6055	0.275	4	129.6055	0.075	4	130.8621	6.338	9	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	129.5335	0.013	2	129.5335	0.000	2	130.8621	6.338	9	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]CN){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|N<2>}	135.2910	0.000	1	135.2910	0.000	1	130.8621	6.338	9	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCHH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.8030	0.000	1	128.8030	0.000	1	129.3174	0.560	5	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[5a]HN){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	130.5820	0.000	1	130.5820	0.000	1	129.3174	0.560	5	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6]HH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.7480	0.000	1	128.7480	0.000	1	129.3174	0.560	5	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.2270	0.190	2	129.2270	0.036	2	129.3174	0.560	5	130.3104	4.663	14	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	133.0060	0.000	1	133.0060	0.000	1	133.0060	0.000	1	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	131.1490	0.000	1	131.1490	0.000	1	131.1490	0.000	1	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	130.8940	0.317	7	130.6748	0.205	10	130.6748	0.205	10	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	130.1633	0.246	3	130.6748	0.205	10	130.6748	0.205	10	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	131.3590	0.641	3	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	130.5122	0.621	4	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	131.4020	0.000	1	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	131.7260	0.330	2	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	131.4470	0.000	1	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	132.0320	0.000	1	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	131.0880	0.537	3	131.1815	0.429	15	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	133.5240	2.998	3	133.5240	8.991	3	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	130.4800	1.174	2	130.4800	1.378	2	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	130.9447	1.019	4	130.9447	1.037	4	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	133.5942	0.526	18	133.5942	0.277	18	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	133.5600	0.000	1	133.5600	0.000	1	132.3556	2.429	43	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,2|C<3>}	133.4690	0.000	1	133.4690	0.000	1	133.4690	0.000	1	132.0654	2.373	56	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	134.3858	0.339	9	134.3858	0.115	9	134.3512	0.223	12	134.3512	0.223	12	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4]){1|H<1>,2|C<3>}	133.6740	0.000	1	133.6740	0.000	1	134.3512	0.223	12	134.3512	0.223	12	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a]){1|H<1>,2|C<3>}	135.2390	0.000	1	135.2390	0.000	1	134.3512	0.223	12	134.3512	0.223	12	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){1|H<1>,2|C<3>}	133.8290	0.000	1	133.8290	0.000	1	134.3512	0.223	12	134.3512	0.223	12	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN){2|C<3>,2|H<1>}	132.6540	0.000	1	132.6540	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	132.4470	0.188	2	132.0439	0.133	7	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	131.8202	0.277	4	132.0439	0.133	7	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	132.1320	0.000	1	132.0439	0.133	7	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	131.8690	0.000	1	131.8690	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	132.2370	0.000	1	132.2370	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS){2|C<3>,2|H<1>}	132.9860	0.000	1	132.9860	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	132.3510	0.000	1	132.3510	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN){2|C<3>,2|H<1>}	132.6650	0.000	1	132.6650	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Br<1>,1|H<1>,2|C<3>}	131.6495	0.257	2	131.6478	0.089	4	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	131.3280	0.000	1	131.6478	0.089	4	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Cl<1>,1|H<1>,2|C<3>}	131.9640	0.000	1	131.6478	0.089	4	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN){2|C<3>,2|H<1>}	131.2630	0.000	1	131.2630	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	131.5270	0.000	1	131.5270	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	132.6718	0.583	8	132.6718	0.340	8	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|H<1>,2|C<3>}	134.0970	0.000	1	134.0970	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	133.7700	0.173	4	133.7700	0.030	4	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS){1|H<1>,2|C<3>}	134.9060	0.000	1	134.9060	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O){1|H<1>,2|C<3>}	134.3555	0.168	2	134.3555	0.028	2	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	134.7205	0.032	2	134.7205	0.001	2	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|H<1>,2|C<3>}	134.5140	0.525	2	134.5140	0.275	2	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS){1|H<1>,2|C<3>}	133.6190	0.000	1	133.6190	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S){1|H<1>,2|C<3>}	133.2570	0.000	1	133.2570	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS){1|H<1>,2|C<3>}	134.5335	0.120	2	134.5335	0.014	2	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC){1|H<1>,2|C<3>}	134.1052	0.285	6	134.1052	0.081	6	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	132.1850	0.100	2	132.1850	0.010	2	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,2|C<3>}	132.0640	0.000	1	132.0640	0.000	1	133.0403	1.226	52	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO){2|C<3>,2|H<1>}	133.3900	0.000	1	133.3900	0.000	1	133.3900	0.000	1	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,1|O<1>,2|C<3>}	125.6680	0.000	1	125.6680	0.000	1	125.6680	0.000	1	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	131.8230	0.000	1	131.8230	0.000	1	131.8230	0.000	1	132.8905	2.171	55	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	135.5822	0.481	4	135.5822	0.231	4	135.5416	0.182	5	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	135.3790	0.000	1	135.3790	0.000	1	135.5416	0.182	5	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	134.2645	0.105	2	134.2645	0.011	2	134.2645	0.011	2	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	132.4073	0.621	6	131.8583	0.527	16	131.8583	0.527	16	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:N[5a]-2:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|B<4>,1|F<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	131.5289	0.585	10	131.8583	0.527	16	131.8583	0.527	16	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	133.1810	0.267	2	133.1810	0.071	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	130.7170	0.000	1	130.7170	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	131.0740	0.000	1	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	131.2772	0.285	4	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	131.3470	0.000	1	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	131.5380	0.000	1	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	130.6140	0.000	1	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	131.1750	0.000	1	131.2063	0.095	9	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	131.2520	0.000	1	131.2520	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	130.6240	0.987	2	130.6240	0.974	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	132.0660	0.000	1	130.7747	0.248	20	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	131.1790	0.000	1	130.7747	0.248	20	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	130.8910	0.419	2	130.7747	0.248	20	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	130.6541	0.403	16	130.7747	0.248	20	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	131.3655	0.419	2	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	131.4120	0.000	1	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	131.6640	0.000	1	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	131.1220	0.223	2	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	130.5900	0.000	1	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	131.7770	0.071	4	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	131.6630	0.000	1	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	131.1908	0.732	5	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	130.3975	0.107	2	131.2716	0.324	19	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	131.0290	0.306	3	130.8211	0.134	11	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	130.6220	0.373	5	130.8211	0.134	11	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	130.9450	0.332	3	130.8211	0.134	11	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	130.4510	0.000	1	130.4520	0.000	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	130.4530	0.000	1	130.4520	0.000	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	129.5955	0.305	2	129.5955	0.093	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	134.1490	0.000	1	134.1490	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	132.4850	0.000	1	132.4850	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	133.8123	1.104	4	133.8123	1.218	4	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	133.3412	0.336	71	133.3412	0.113	71	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	134.6410	0.000	1	134.6410	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	133.4690	0.027	2	133.4690	0.001	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	134.8573	0.434	6	134.8573	0.188	6	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	133.2633	0.704	3	133.2633	0.496	3	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	132.9394	0.539	12	132.9045	0.282	13	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	132.4850	0.000	1	132.9045	0.282	13	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	133.4955	0.342	4	133.4955	0.117	4	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	132.8610	0.000	1	132.8610	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	133.3838	0.391	5	133.3838	0.153	5	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	133.0255	0.121	2	133.0255	0.015	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	133.0540	0.000	1	133.0540	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	133.4850	0.417	24	133.4850	0.174	24	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	133.9590	0.098	2	133.9590	0.010	2	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	133.8190	0.000	1	133.8190	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	133.7030	0.000	1	133.7030	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	134.6980	0.000	1	134.6980	0.000	1	132.6443	1.657	213	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	132.0660	0.000	1	132.0660	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	132.0480	0.000	1	132.0480	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	130.9780	0.000	1	130.9780	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO){1|H<1>,2|C<3>}	133.7580	0.000	1	133.7580	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO){1|H<1>,2|C<3>}	133.9570	0.000	1	133.9570	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO){1|H<1>,2|C<3>}	133.9150	0.000	1	133.9150	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO){1|H<1>,2|C<3>}	133.7940	0.000	1	133.7940	0.000	1	132.9309	1.465	7	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<1>,2|C<3>}	127.8290	0.000	1	127.8290	0.000	1	127.8290	0.000	1	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	132.1300	0.000	1	132.1300	0.000	1	131.0963	0.899	3	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	130.5795	0.442	2	130.5795	0.195	2	131.0963	0.899	3	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:As[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(As[5a]S[5a])(CC[6a]HH){1|H<1>,2|C<3>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	132.6001	2.159	248	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C)(H){1|C<4>,1|H<1>,2|C<3>}	132.8733	0.290	3	132.8733	0.084	3	133.4576	0.234	17	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.3990	0.000	1	133.5829	0.179	14	133.4576	0.234	17	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.4911	0.394	8	133.5829	0.179	14	133.4576	0.234	17	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	133.8055	0.561	4	133.5829	0.179	14	133.4576	0.234	17	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(H){1|H<1>,3|C<3>}	133.6100	0.000	1	133.5829	0.179	14	133.4576	0.234	17	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(H){2|H<1>,4|C<3>}	137.4830	0.853	2	137.4830	0.727	2	137.4830	0.727	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	129.2280	0.000	1	129.2280	0.000	1	130.8133	1.923	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.6060	0.277	2	131.6060	0.077	2	130.8133	1.923	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.0090	0.095	2	129.0090	0.009	2	128.5920	0.277	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.4270	0.000	1	128.4270	0.000	1	128.5920	0.277	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	127.9230	0.000	1	127.9230	0.000	1	128.5920	0.277	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	130.7630	0.000	1	131.0825	0.204	2	130.9623	0.145	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.4020	0.000	1	131.0825	0.204	2	130.9623	0.145	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	130.7220	0.000	1	130.7220	0.000	1	130.9623	0.145	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<3>,4|C<4>}	130.0480	0.000	1	130.0480	0.000	1	130.0480	0.000	1	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.6900	0.000	1	129.3860	0.185	2	129.3860	0.185	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	129.0820	0.000	1	129.3860	0.185	2	129.3860	0.185	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.3485	0.978	2	129.2570	0.503	3	129.0365	0.269	6	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.0740	0.000	1	129.2570	0.503	3	129.0365	0.269	6	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.8160	0.149	3	128.8160	0.022	3	129.0365	0.269	6	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	132.5130	0.000	1	132.5130	0.000	1	132.0288	0.195	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	132.0770	0.099	2	132.0770	0.010	2	132.0288	0.195	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.4480	0.000	1	131.4480	0.000	1	132.0288	0.195	4	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Br<1>,1|C<4>,2|C<3>}	131.0870	0.000	1	131.0870	0.000	1	132.4853	1.984	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	132.4650	0.000	1	132.4650	0.000	1	132.4853	1.984	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Br<1>,4|C<3>}	133.9040	0.000	1	133.9040	0.000	1	132.4853	1.984	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	130.8810	0.000	1	130.8810	0.000	1	131.5690	1.216	7	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|Cl<1>,5|C<3>}	130.1640	0.000	1	130.1640	0.000	1	131.5690	1.216	7	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Cl<1>,1|H<1>,2|C<3>}	131.2460	0.163	2	131.2460	0.026	2	131.5690	1.216	7	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]H){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|Cl<1>,2|C<3>}	132.4820	1.027	3	132.4820	1.056	3	131.5690	1.216	7	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|F<1>,2|C<3>}	131.3620	0.547	2	131.3620	0.300	2	132.6020	0.816	13	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|F<1>,2|C<3>,2|N<3>}	133.3516	0.133	5	133.3516	0.018	5	132.6020	0.816	13	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|F<1>,2|C<3>}	133.2520	0.607	2	133.2520	0.368	2	132.6020	0.816	13	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|F<1>,2|C<3>}	131.5815	0.088	2	131.9600	0.226	4	132.6020	0.816	13	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|F<1>,1|H<1>,2|C<3>}	132.3385	0.313	2	131.9600	0.226	4	132.6020	0.816	13	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	130.6132	0.132	5	130.6132	0.017	5	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|C<3>,2|H<1>,2|N<3>}	131.0955	0.348	4	131.0035	0.131	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){1|H<1>,2|N<3>,3|C<3>}	130.7817	0.378	3	131.0035	0.131	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(H){2|Li<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	131.3010	0.000	1	131.0035	0.131	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	131.0530	0.503	2	131.9526	0.509	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){2|H<1>,4|C<3>}	132.3088	0.514	5	131.9526	0.509	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(H){1|H<1>,5|C<3>}	131.9710	0.000	1	131.9526	0.509	8	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.3820	0.000	1	132.3820	0.000	1	131.3226	0.580	22	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.1190	0.000	1	130.1190	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.7040	0.390	2	129.7040	0.152	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	128.7645	0.131	2	128.7645	0.017	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.0880	0.000	1	130.0880	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	129.7630	1.309	4	129.7630	1.713	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.2530	0.000	1	130.2530	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.0700	0.270	7	129.9492	0.293	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.1970	0.000	1	129.9492	0.293	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.6160	0.000	1	129.9492	0.293	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.0740	0.064	2	129.9492	0.293	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Br<1>,1|H<1>,2|C<3>}	130.9390	0.000	1	129.9492	0.293	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.6770	0.000	1	130.6770	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	129.4310	0.000	1	129.7485	0.202	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	130.0660	0.000	1	129.7485	0.202	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.9440	0.000	1	129.6570	0.135	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.0830	0.000	1	129.6570	0.135	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.1800	0.000	1	129.6570	0.135	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	129.6430	0.000	1	129.6570	0.135	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.4350	0.000	1	129.6570	0.135	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.3300	0.000	1	129.3300	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.9795	0.189	2	129.9795	0.036	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.4402	0.358	4	129.3252	0.162	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<3>,2|C<3>}	128.8650	0.000	1	129.3252	0.162	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.5710	0.000	1	129.5340	0.536	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.5270	0.000	1	129.5340	0.536	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.0190	0.025	2	129.5340	0.536	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	129.8400	0.000	1	129.8400	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.0080	0.317	3	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	129.6130	0.049	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|C<4>,1|H<1>,4|C<3>}	129.8280	0.236	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	127.8465	0.303	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	128.0750	0.000	1	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	129.4140	0.190	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	130.6840	0.000	1	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	129.9130	0.000	1	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.0245	0.654	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,2|H<1>,3|C<3>}	130.0987	0.528	3	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|C<3>,2|H<1>,2|N<2>}	129.6330	0.581	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(H){2|H<1>,4|C<3>}	130.1030	0.085	2	129.6485	0.623	23	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	129.6430	0.000	1	129.6430	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	130.5300	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|P<4>,2|C<3>}	129.7150	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<3>,2|C<3>}	129.7040	0.281	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	129.2530	0.581	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	130.2480	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	131.3653	0.640	3	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.3537	0.219	4	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.9550	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.4090	0.526	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.4867	0.044	3	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.9931	0.386	8	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.1356	0.559	59	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	128.0775	0.103	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.4510	0.648	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.9090	0.177	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	130.3430	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.7031	0.593	39	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.0401	0.726	30	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	128.9180	0.298	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.8477	0.546	4	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<2>,2|C<3>}	130.5000	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.4830	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.8690	0.191	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.7765	0.177	2	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.9416	0.303	5	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	130.1596	0.509	26	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	129.9070	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.0330	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.2232	0.745	5	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	129.9380	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.0981	1.099	13	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	130.0610	0.000	1	130.0554	0.477	228	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(H){2|C<4>,2|H<1>,3|C<3>}	129.5850	0.000	1	129.5850	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(H){1|C<4>,2|H<1>,3|C<3>}	130.4500	0.000	1	130.4500	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	130.7160	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	130.2850	0.584	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	130.5120	0.718	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.4697	0.171	3	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	130.0265	0.243	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	129.6980	0.334	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,6|C<3>}	129.2645	0.721	4	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	130.5235	0.327	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,5|C<3>}	130.0740	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.6690	0.209	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.1790	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.0760	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,2|N<3>,3|C<3>}	127.9210	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	129.0475	0.209	2	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.9420	0.000	1	129.7370	0.652	27	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	130.4890	0.000	1	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	130.4245	0.345	6	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	130.0445	0.527	2	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	129.6740	0.000	1	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	130.7040	0.031	2	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.8290	0.000	1	130.3105	0.173	13	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	129.6180	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.8676	0.464	7	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.9080	0.262	2	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.8600	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.9180	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	130.8000	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	130.0106	0.516	21	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	129.0238	0.272	5	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	130.1350	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|P<4>,4|C<3>}	128.6530	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	130.1370	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<4>,4|C<3>}	129.7060	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	129.4430	0.571	2	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	129.8020	0.303	2	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	129.7890	0.000	1	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	129.7506	0.889	24	129.7965	0.458	72	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.9210	0.361	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.2180	0.393	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.9960	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.9760	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.9030	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	127.6705	0.234	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.1241	0.424	10	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.9390	0.008	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.2235	0.575	24	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.5425	0.887	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	128.7465	0.261	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.7866	0.520	19	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	131.0390	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.7980	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	131.4980	0.272	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.4720	0.385	3	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.8627	0.419	41	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.1915	0.752	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.3152	0.678	326	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.8070	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	129.3300	0.114	4	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.6555	0.317	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|P<4>,2|C<3>}	129.6490	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	130.3273	0.439	7	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<4>,2|C<3>}	129.7870	0.533	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.1060	0.690	8	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.8670	0.108	3	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	129.7827	0.702	3	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.9900	0.617	5	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.5320	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.6255	1.084	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	130.1745	2.201	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|S<2>,2|C<3>}	128.5670	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.3230	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	130.8850	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	130.9490	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.1127	0.595	15	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.7950	0.949	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.0857	0.510	6	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.5333	0.613	3	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.2220	0.699	5	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.7503	0.553	166	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.2060	0.526	2	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	128.6100	0.000	1	130.1697	0.541	689	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<2>,1|H<1>,2|C<3>}	130.4790	0.000	1	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|C<4>,1|H<1>,2|C<3>}	130.1740	0.000	1	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,1|S<4>,2|C<3>}	129.9640	0.069	2	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){2|C<3>,2|H<1>}	131.3987	0.664	3	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	127.6540	0.000	1	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	129.4055	0.200	2	130.1242	1.457	10	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|N<2>,2|H<1>,3|C<3>}	128.8390	0.641	3	128.8390	0.411	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	130.4760	0.457	2	130.3253	0.172	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|I<1>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(H){1|H<1>,1|I<1>,4|C<3>}	130.0240	0.000	1	130.3253	0.172	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	129.8882	0.538	5	130.0230	0.400	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	129.5450	0.000	1	130.0230	0.400	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	130.2150	0.735	6	130.0230	0.400	12	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H){1|C<4>,1|H<1>,2|C<3>}	130.4470	0.423	4	130.2036	0.430	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(H){1|H<1>,3|C<3>}	129.2300	0.000	1	130.2036	0.430	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	128.9080	0.000	1	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,1|H<1>,2|C<3>}	129.9800	0.181	2	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|N<3>,2|C<3>}	128.6020	0.000	2	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){2|C<3>,2|H<1>}	130.1690	0.000	1	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>,2|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,1|S<2>,2|C<3>}	129.7980	0.000	1	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|H<1>,3|C<3>}	129.0900	0.000	1	129.3911	0.438	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Se)(H){1|C<4>,1|H<1>,2|C<3>}	129.5150	0.000	1	129.5150	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|C<4>,3|H<1>}	130.1270	0.000	1	130.3932	0.314	14	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,2|C<3>,4|C<4>}	130.2890	0.598	2	130.3932	0.314	14	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	130.2540	0.556	5	130.3932	0.314	14	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<3>,2|H<1>,3|C<4>}	130.7924	0.454	5	130.3932	0.314	14	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){2|C<4>,2|H<1>,3|C<3>}	129.5680	0.000	1	130.3932	0.314	14	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.9700	0.249	2	129.9700	0.062	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	129.2770	0.000	1	129.1645	0.025	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	129.0520	0.000	1	129.1645	0.025	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	129.8425	0.622	2	129.8425	0.386	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	129.7050	0.000	1	129.8515	0.043	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	129.9980	0.000	1	129.8515	0.043	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.6270	0.000	1	129.0085	0.765	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.3900	0.000	1	129.0085	0.765	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){2|C<3>,2|H<1>,2|N<3>}	131.5810	0.000	1	131.5810	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	131.1685	0.120	2	131.1685	0.014	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	128.8300	0.000	1	130.1327	1.507	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	130.3000	0.000	1	130.1327	1.507	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	131.2680	0.000	1	130.1327	1.507	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	133.0655	0.060	2	133.0655	0.004	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<2>,1|H<1>,3|C<3>}	130.8290	0.000	1	130.8290	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	128.9290	0.000	1	128.9290	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	128.0170	0.000	1	128.0170	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	132.0790	0.000	1	132.0790	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.5110	0.000	1	132.2106	0.284	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.5235	0.613	2	132.2106	0.284	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.7475	0.213	2	132.2106	0.284	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	133.0507	1.407	6	133.0857	1.659	7	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	133.2960	0.000	1	133.0857	1.659	7	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	133.4810	0.272	3	132.9890	1.018	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	131.5130	0.000	1	132.9890	1.018	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	133.3350	0.000	1	133.3350	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.4740	0.000	1	132.4740	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	130.7460	0.000	1	130.7460	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	131.9700	0.000	1	131.9700	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	131.4230	0.000	1	132.0135	0.278	11	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.8670	0.000	1	132.0135	0.278	11	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	132.1810	0.253	7	132.0135	0.278	11	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<3>,3|C<3>}	132.7300	0.000	1	132.0135	0.278	11	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|O<2>,3|C<3>}	131.8610	0.000	1	132.0135	0.278	11	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.8560	0.000	1	132.1850	0.300	119	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	132.1800	1.010	2	132.1850	0.300	119	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.9770	0.000	1	132.1850	0.300	119	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	132.2113	0.511	20	132.1850	0.300	119	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	132.1852	0.557	95	132.1850	0.300	119	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.8360	0.222	2	132.3323	0.648	114	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.5530	0.321	2	132.3323	0.648	114	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.3339	0.843	101	132.3323	0.648	114	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.3754	0.422	9	132.3323	0.648	114	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(H){2|C<3>,2|C<4>,2|H<1>}	131.5290	0.000	1	131.5290	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])(H){2|C<3>,2|C<4>,2|H<1>}	133.0247	0.903	3	133.0247	0.816	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.4580	0.000	1	131.7716	0.213	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	131.8080	0.000	1	131.7716	0.213	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<2>}	131.1690	0.000	1	131.7716	0.213	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	131.7115	0.091	2	131.7716	0.213	5	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	132.9280	0.000	1	132.0846	0.666	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	130.6430	0.000	1	132.0846	0.666	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	132.6260	0.000	1	132.0846	0.666	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	132.0960	0.628	5	132.0846	0.666	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	132.1880	0.921	2	132.4062	1.365	16	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	132.3855	0.405	2	132.4062	1.365	16	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	132.4461	1.326	12	132.4062	1.365	16	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	132.5492	0.556	6	132.4056	0.124	35	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	132.3759	0.300	29	132.4056	0.124	35	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	132.2475	0.477	8	132.2475	0.227	8	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(H){1|C<4>,1|H<1>,3|C<3>}	133.0830	0.000	1	133.0830	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	131.9450	0.000	1	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	131.7755	0.672	17	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	129.8200	0.000	1	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,1|S<4>,2|C<3>}	130.4800	0.000	1	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){2|C<3>,2|H<1>}	131.9005	0.773	2	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	129.6570	0.000	1	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|H<1>,3|C<3>}	131.4831	0.510	14	131.5311	0.562	37	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	132.3093	0.308	13	132.2626	0.096	15	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	131.9590	0.024	2	132.2626	0.096	15	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	130.7140	0.000	1	130.7140	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	132.7350	0.000	1	132.7350	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	131.6290	0.290	6	131.6290	0.084	6	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	131.7150	0.000	1	132.0955	0.290	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	132.4760	0.000	1	132.0955	0.290	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	131.2340	0.000	1	131.2340	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	131.9760	0.473	4	131.9760	0.224	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(H){1|H<1>,4|C<3>}	131.2050	0.000	1	131.2050	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	132.0720	0.000	1	131.3833	0.356	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(H){1|H<1>,2|C<3>}	131.0390	0.000	2	131.3833	0.356	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(H){1|H<1>,2|C<3>}	131.9490	0.864	3	131.9490	0.746	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	133.4340	0.000	1	133.4340	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	132.5400	0.000	1	132.8033	0.059	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	132.9350	0.120	2	132.8033	0.059	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	134.3360	0.000	1	133.7597	0.285	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	133.6610	0.000	1	133.7597	0.285	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){1|H<1>,2|C<3>}	133.2820	0.000	1	133.7597	0.285	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H){1|H<1>,2|C<3>}	126.8120	0.107	2	126.8120	0.012	2	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	134.2783	0.333	3	134.2783	0.111	3	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	127.4550	0.000	1	127.4550	0.000	1	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	134.8558	0.406	4	134.8558	0.165	4	130.6548	1.532	1609	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	128.0430	0.000	1	128.0430	0.000	1	128.5730	0.212	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	128.8380	0.045	2	128.8380	0.002	2	128.5730	0.212	3	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,1|O<1>}	132.7695	0.060	2	132.7695	0.004	2	132.7695	0.004	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	129.7540	0.000	1	129.7540	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>}	123.9640	0.000	1	123.9640	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,1|O<1>,2|C<3>}	124.3240	0.000	1	124.3240	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5,6]N[5a])(H){1|O<1>,2|N<3>,3|C<4>}	131.7490	0.000	1	131.7490	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(H){1|C<3>,1|O<1>,3|N<3>}	131.3830	0.000	1	131.3830	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<3>,2|N<3>}	131.7070	0.000	1	131.7070	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	132.3910	0.000	1	131.6673	0.230	70	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|O<1>,2|N<3>}	131.6568	0.475	69	131.6673	0.230	70	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(H){1|O<1>,2|N<3>}	132.3520	0.000	1	132.3520	0.000	1	131.4538	1.709	77	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	131.1950	0.000	1	131.1950	0.000	1	131.1950	0.000	1	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H){1|H<1>,3|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.8550	0.710	2	129.8550	0.504	2	129.8550	0.504	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	131.4790	0.000	1	131.4790	0.000	1	131.6295	0.045	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]F){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	131.7800	0.000	1	131.7800	0.000	1	131.6295	0.045	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	128.9027	0.312	3	128.9204	0.067	5	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	129.1360	0.000	1	128.9204	0.067	5	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	128.7580	0.000	1	128.9204	0.067	5	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	128.8020	0.000	1	128.8020	0.000	1	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	127.4320	0.136	2	127.7460	0.305	3	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){2|H<1>,4|C<3>}	128.3740	0.000	1	127.7460	0.305	3	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,4|C<3>}	128.2343	0.415	3	128.2343	0.172	3	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	130.8370	0.000	1	130.8370	0.000	1	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	131.0990	0.000	1	131.0990	0.000	1	128.8058	1.156	14	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.0630	0.000	1	129.5480	0.470	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,5,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,3|C<4>}	130.0330	0.000	1	129.5480	0.470	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	130.1480	0.000	1	130.0305	0.028	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.9130	0.000	1	130.0305	0.028	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.7000	0.000	1	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.4933	0.775	7	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.5910	0.032	3	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.2420	0.000	1	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.6270	0.000	1	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.9135	0.194	4	129.3205	0.340	17	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.4730	0.000	1	129.3530	0.029	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5,5,6,6]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	129.2330	0.000	1	129.3530	0.029	2	129.4049	0.315	23	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	130.5600	0.000	1	130.5600	0.000	1	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.1040	0.000	1	129.1040	0.000	1	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	127.8710	0.000	1	129.3713	0.389	12	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,2|C<3>,4|C<4>}	129.5083	0.451	10	129.3713	0.389	12	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(H){1|H<1>,3|C<3>,3|C<4>}	129.5020	0.000	1	129.3713	0.389	12	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	129.3082	0.379	4	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	129.7668	0.318	4	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	129.6710	0.000	1	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	130.9518	3.063	4	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	130.6220	0.000	1	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	129.2405	0.613	2	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,3|C<3>,3|C<4>}	129.3365	1.002	2	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,5|C<3>}	129.6340	0.000	1	129.8520	2.125	19	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	128.4125	0.070	2	128.4125	0.005	2	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]S[5])(H){1|H<1>,4|C<3>}	129.6890	0.000	1	129.6890	0.000	1	129.6062	1.382	36	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(H){1|H<1>,2|N<3>,3|C<3>}	128.3215	0.825	2	128.3215	0.681	2	128.3215	0.681	2	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	127.8400	0.000	1	127.8400	0.000	1	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.4230	0.000	1	129.4230	0.000	1	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	130.5347	0.492	3	130.5347	0.242	3	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.2380	0.000	1	129.2380	0.000	1	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	129.9450	0.000	1	129.9450	0.000	1	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.6463	0.245	3	128.9101	0.876	14	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.5910	0.000	1	128.9101	0.876	14	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.9743	0.272	3	128.9101	0.876	14	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(H){1|H<1>,2|N<3>,3|C<3>}	128.0411	0.240	7	128.9101	0.876	14	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.7820	0.000	1	129.9472	0.180	5	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.1833	0.340	3	129.9472	0.180	5	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.4040	0.000	1	129.9472	0.180	5	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[4,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	130.4143	0.537	4	130.4143	0.289	4	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	130.3310	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.6264	0.549	10	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	129.7970	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	130.1560	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	130.0986	0.235	7	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.7935	0.627	4	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	129.6750	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	129.8620	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	129.1760	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.1476	0.270	7	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.7100	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.0130	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.6260	0.000	1	130.1218	0.294	37	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.9170	0.833	2	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.4410	0.710	2	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	130.2460	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.6360	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	128.9500	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	129.7050	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.7720	0.607	5	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	129.2275	0.347	2	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	129.4560	0.089	2	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,2|C<3>,4|C<4>}	130.2570	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,3|C<3>,3|C<4>}	130.0262	0.355	5	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.9219	0.585	40	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	129.7212	0.440	4	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){2|C<3>,2|H<1>,3|C<4>}	130.2790	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	129.4550	0.000	1	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	128.9855	1.047	2	129.8216	0.331	71	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	130.2370	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	130.1050	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.9650	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.3560	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	130.2365	0.064	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	130.2470	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	130.4305	0.045	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	130.4180	0.709	4	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	129.4370	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	129.9640	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.3030	0.420	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	130.1341	0.505	20	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	130.5870	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	130.0270	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	130.0900	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	130.1030	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.7247	0.467	9	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	130.6875	0.127	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	129.9817	0.620	3	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.1352	0.363	5	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	129.5413	0.644	3	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<3>,2|C<4>,3|H<1>}	129.8755	1.264	22	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	129.7361	0.248	10	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.8450	0.319	3	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	130.0910	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	130.0020	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.8820	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	130.1237	0.413	3	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	129.6025	0.162	4	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.2950	0.165	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	129.0480	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	129.5000	0.735	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	130.2650	0.346	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.6418	0.075	4	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	129.8980	0.148	3	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,3|C<3>,3|C<4>}	129.9420	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	129.5210	0.000	1	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	127.8680	0.320	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	128.3912	0.710	5	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	127.3245	2.599	2	129.8098	0.733	133	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	128.5820	0.000	1	128.7140	0.035	2	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(H){1|H<1>,1|N<2>,3|C<3>}	128.8460	0.000	1	128.7140	0.035	2	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(H){1|H<1>,2|C<3>,2|C<4>}	130.4705	0.513	2	130.4705	0.263	2	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	128.7310	0.000	1	128.5195	0.089	2	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.3080	0.000	1	128.5195	0.089	2	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.7480	0.000	1	129.0040	0.271	4	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.8190	0.000	1	129.0040	0.271	4	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.7245	0.261	2	129.0040	0.271	4	129.7941	0.631	281	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	127.8610	0.000	1	127.8610	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.2375	0.108	2	129.2375	0.012	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.3960	0.000	1	128.3960	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.2380	0.000	1	129.2380	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	127.8122	0.171	5	127.8122	0.029	5	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	129.4540	0.000	1	129.4540	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.5210	0.390	2	128.5210	0.152	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	129.3020	0.000	1	127.9070	1.609	3	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.2095	0.547	2	127.9070	1.609	3	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.7060	0.000	1	129.7060	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	128.8065	0.633	2	128.8065	0.401	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.5015	0.367	2	129.4296	0.087	7	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.5233	0.143	3	129.4296	0.087	7	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.2170	0.467	2	129.4296	0.087	7	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.0120	0.000	1	128.0120	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	129.0180	0.000	1	129.0180	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	127.2370	0.000	1	127.2370	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.4830	0.000	1	129.0005	0.466	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.5180	0.000	1	129.0005	0.466	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	129.6270	0.000	1	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.6900	0.000	1	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	129.4390	0.000	1	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	128.8810	0.000	1	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	128.1663	0.352	3	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.8210	0.000	1	128.8696	0.472	8	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.0570	0.276	2	128.8425	0.657	31	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	127.7595	0.422	2	128.8425	0.657	31	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	130.0690	0.038	2	128.8425	0.657	31	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.8938	0.730	25	128.8425	0.657	31	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	128.3340	0.000	1	128.9930	0.191	21	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	129.6655	0.223	2	128.9930	0.191	21	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	128.9902	0.356	17	128.9930	0.191	21	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,5|C<3>}	128.3530	0.000	1	128.9930	0.191	21	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,1|N<2>,3|C<3>}	128.4840	0.000	1	128.3177	0.882	16	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	129.4730	0.000	1	128.3177	0.882	16	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	128.2173	1.032	12	128.3177	0.882	16	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|C<4>,1|H<1>,4|C<3>}	128.2590	0.133	2	128.3177	0.882	16	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.7180	0.018	2	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	127.7180	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	127.1850	0.322	2	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.9806	0.485	5	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	130.3580	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	126.2860	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.7420	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	128.8135	0.473	2	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	128.7541	0.213	7	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	127.5460	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.7327	0.600	3	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.5270	0.260	4	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	130.2580	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.8435	0.202	6	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.4500	0.454	4	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.7780	0.248	3	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	128.6170	0.000	1	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.1403	0.836	4	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.3739	0.806	81	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,1|H<1>,4|C<3>}	128.6880	0.839	2	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.1695	0.607	6	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	128.8774	0.622	10	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	129.0633	0.444	11	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<3>,4|C<3>}	128.9074	0.599	8	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	129.2071	0.877	8	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.8339	0.583	17	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	129.1117	0.521	6	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.2225	0.610	47	129.1982	0.571	245	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.2390	0.000	1	129.2390	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	129.2355	0.095	2	128.7283	0.352	4	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.3130	0.000	1	128.7283	0.352	4	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|H<1>,5|C<3>}	128.1290	0.000	1	128.7283	0.352	4	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	128.5330	0.404	2	128.5330	0.164	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	129.0120	0.000	1	128.2136	0.242	12	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.1075	0.488	4	128.2136	0.242	12	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.6890	0.000	1	128.2136	0.242	12	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	128.2387	0.443	6	128.2136	0.242	12	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.1570	0.000	1	130.1875	0.002	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|H<1>,4|C<3>}	130.2180	0.000	1	130.1875	0.002	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.5575	0.438	2	130.5575	0.192	2	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.9523	0.353	6	130.9346	0.106	7	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	130.8280	0.000	1	130.9346	0.106	7	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	130.2010	0.000	1	130.2010	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[6a])(H){1|H<1>,4|C<3>}	131.0530	0.000	1	131.0530	0.000	1	129.0846	0.708	384	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(H){1|H<1>,3|C<3>}	130.7997	0.847	11	130.7997	0.717	11	130.7997	0.717	11	130.3467	1.830	2534	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(F){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NC){1|F<1>,3|C<3>}	131.6810	0.000	1	131.6810	0.000	1	131.6810	0.000	1	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	129.5890	0.000	1	129.3075	0.158	2	129.5779	1.932	7	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	129.0260	0.000	1	129.3075	0.158	2	129.5779	1.932	7	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|H<1>,3|C<3>}	128.8430	0.047	2	128.8430	0.002	2	129.5779	1.932	7	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CC){2|C<3>,2|H<1>}	129.0360	0.205	2	129.0360	0.042	2	129.5779	1.932	7	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|H<1>,2|C<3>}	132.6720	0.000	1	132.6720	0.000	1	129.5779	1.932	7	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NO){1|C<4>,1|H<1>,2|C<3>}	130.1150	0.000	1	130.1150	0.000	1	130.6140	0.498	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC){1|H<1>,2|C<3>}	131.1130	0.000	1	131.1130	0.000	1	130.6140	0.498	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	131.0280	0.000	1	131.0280	0.000	1	129.8435	0.695	4	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH){1|H<1>,5|C<3>}	129.2460	0.000	1	129.2460	0.000	1	129.8435	0.695	4	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(OH){1|H<1>,3|C<3>}	129.8250	0.000	1	129.8250	0.000	1	129.8435	0.695	4	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	129.2750	0.000	1	129.2750	0.000	1	129.8435	0.695	4	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	133.6930	1.071	2	133.6930	1.146	2	133.6930	1.146	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	130.8260	0.000	1	131.9683	1.018	3	131.9683	1.018	3	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	132.5395	0.279	2	131.9683	1.018	3	131.9683	1.018	3	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	127.8600	0.000	1	127.8600	0.000	1	127.8600	0.000	1	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	131.8050	0.000	1	131.8050	0.000	1	132.7145	1.654	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	133.6240	0.000	1	133.6240	0.000	1	132.7145	1.654	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:O-2:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(OH){1|C<4>,3|C<3>,3|H<1>}	129.7905	0.142	2	129.7905	0.020	2	129.7905	0.020	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	128.4797	0.414	4	128.4797	0.172	4	128.4797	0.172	4	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NNb[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NNb[5]){2|H<1>,4|C<3>}	128.7210	0.257	2	128.7210	0.066	2	128.7210	0.066	2	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	130.6040	0.000	1	130.6040	0.000	1	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	130.0300	0.000	1	130.1145	0.014	2	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	130.1990	0.000	1	130.1145	0.014	2	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a]){3|H<1>,4|C<3>}	133.5170	0.000	1	133.5170	0.000	1	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	133.6680	0.704	2	133.7860	0.460	4	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	133.9040	0.911	2	133.7860	0.460	4	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,2|N<2>,3|C<3>}	133.8800	0.000	1	133.8800	0.000	1	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	134.1420	0.000	1	134.1420	0.000	1	132.7516	3.110	10	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	128.8600	0.000	1	128.8600	0.000	1	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	132.4490	0.000	1	131.7703	0.443	3	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	131.4310	0.443	2	131.7703	0.443	3	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	132.3315	0.639	4	132.3315	0.408	4	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	134.5550	0.000	1	134.5550	0.000	1	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	133.1080	0.000	1	133.1080	0.000	1	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	132.4120	0.038	2	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	134.2473	0.655	4	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	133.4580	0.000	1	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	133.4750	0.051	2	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	133.8070	0.000	1	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	132.9060	0.000	1	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	134.2405	0.326	2	133.6473	0.605	13	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	134.1520	0.000	1	133.5290	0.776	2	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	132.9060	0.000	1	133.5290	0.776	2	133.0253	1.751	25	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	134.9890	0.000	1	134.9890	0.000	1	134.9890	0.000	1	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<3>,2|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	132.1030	0.000	1	132.1030	0.000	1	132.1030	0.000	1	131.7476	4.463	67	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	133.4780	0.000	1	134.0195	0.586	2	134.0195	0.586	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(COO){1|C<4>,1|H<1>,2|C<3>}	134.5610	0.000	1	134.0195	0.586	2	134.0195	0.586	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	135.3320	0.000	1	135.3320	0.000	1	135.3320	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H){1|N<3>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	137.3000	0.000	1	137.3000	0.000	1	137.3000	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	135.2980	0.000	1	135.2980	0.000	1	135.8595	0.631	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H){2|S<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	136.4210	0.000	1	136.4210	0.000	1	135.8595	0.631	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(BC[6a]2){2|C<3>,2|H<1>}	130.0930	0.000	1	130.0930	0.000	1	130.1190	0.305	4	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	129.4580	0.000	1	130.1277	0.456	3	130.1190	0.305	4	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){2|C<3>,2|H<1>}	130.1160	0.000	1	130.1277	0.456	3	130.1190	0.305	4	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|H<1>,3|C<3>}	130.8090	0.000	1	130.1277	0.456	3	130.1190	0.305	4	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	129.6130	0.052	2	129.6130	0.003	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	129.9810	0.918	2	130.2387	0.620	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	130.7540	0.000	1	130.2387	0.620	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<1>,2|C<3>}	129.9970	0.000	1	130.1567	0.156	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,1|I<2>,2|C<3>}	130.0245	0.477	2	130.1567	0.156	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCO){1|H<1>,3|C<3>}	130.5810	0.000	1	130.1567	0.156	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	131.2728	0.752	15	131.2728	0.565	15	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CNO){2|C<3>,2|H<1>}	129.7240	0.000	1	129.7240	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN[5]O){2|C<3>,2|H<1>}	129.6670	0.000	1	129.6670	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){2|C<3>,2|H<1>}	130.8262	0.594	6	130.9104	0.541	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	131.5630	0.344	2	130.9104	0.541	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|C<4>,1|H<1>,2|C<3>}	130.7560	0.868	2	130.9104	0.541	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	131.0640	1.114	3	130.9104	0.541	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(COO){1|H<1>,3|C<3>}	129.9580	0.000	1	130.9104	0.541	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	131.4190	0.000	1	131.4190	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|C<4>,3|C<3>,3|H<1>}	131.7610	0.000	1	130.9240	0.449	5	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,3|C<3>,3|C<4>}	130.1770	0.000	1	130.9240	0.449	5	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(COO){1|H<1>,1|N<2>,4|C<3>}	130.8940	0.516	3	130.9240	0.449	5	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(COO){2|C<4>,2|H<1>,3|C<3>}	131.1300	0.119	2	131.1300	0.014	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	129.1040	0.000	1	129.1040	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){2|H<1>,4|C<3>}	130.9980	0.000	1	130.9980	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|C<4>,1|H<1>,4|C<3>}	130.1870	0.222	2	130.3470	0.204	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	130.5070	0.677	2	130.3470	0.204	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	129.6970	0.205	2	129.6970	0.042	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	130.3130	0.000	1	130.3130	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	130.2450	0.492	2	130.2450	0.242	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N){2|H<1>,4|C<3>}	130.6340	0.000	1	130.6340	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<2>,1|H<1>,4|C<3>}	130.6550	0.000	1	130.6883	0.266	7	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	130.7283	0.700	3	130.6883	0.266	7	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|P<4>,4|C<3>}	130.2580	0.000	1	130.6883	0.266	7	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	130.8600	0.607	2	130.6883	0.266	7	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Cl)(COO){1|H<1>,3|C<3>}	131.5560	0.000	1	131.5560	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCC){1|H<1>,3|C<3>}	129.4930	0.000	1	129.4930	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|C<4>,1|H<1>,2|C<3>}	130.1510	0.000	1	130.0903	0.240	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){2|C<3>,2|H<1>}	130.5470	0.000	1	130.0903	0.240	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCH){1|H<1>,3|C<3>}	129.5730	0.000	1	130.0903	0.240	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCN){2|C<3>,2|H<1>}	130.1590	0.000	1	130.1590	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|C<4>,1|H<1>,2|C<3>}	130.9983	0.046	3	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	131.4720	0.000	1	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|O<2>,2|C<3>}	130.8170	0.000	1	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){2|C<3>,2|H<1>}	130.9180	0.146	2	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	130.4177	0.483	6	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	131.3200	0.000	1	130.7819	0.226	14	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[4]O){2|C<3>,2|H<1>}	130.5900	0.000	1	130.5900	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5]H){1|H<1>,3|C<3>}	129.9200	0.000	1	129.9200	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]O){2|C<3>,2|H<1>}	130.5997	0.168	3	130.5997	0.028	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5]){2|C<3>,2|H<1>}	130.2725	0.077	2	130.2725	0.006	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	130.8300	0.000	1	130.1010	0.544	9	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	130.1953	0.136	3	130.1010	0.544	9	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	131.2870	0.000	1	130.1010	0.544	9	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	129.5515	0.616	4	130.1010	0.544	9	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHN){2|C<3>,2|H<1>}	130.7880	0.000	1	130.7880	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CNO){2|C<3>,2|H<1>}	130.9080	0.000	1	130.9080	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	131.7700	0.000	1	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	130.7835	0.135	2	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	130.9282	0.451	14	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	131.5910	0.000	1	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	130.3640	0.000	1	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	130.7010	0.858	2	130.9376	0.250	21	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CCO){2|C<3>,2|H<1>}	131.4560	0.000	1	131.4560	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|Br<1>,1|H<1>,2|C<3>}	131.0740	0.000	1	130.9743	0.080	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCO){1|C<4>,1|H<1>,2|C<3>}	130.9245	0.380	2	130.9743	0.080	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5a]H){1|H<1>,3|C<3>}	129.9430	0.000	1	129.9430	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(COO){1|C<4>,1|H<1>,2|C<3>}	131.3200	0.000	1	131.3200	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	129.0650	0.000	1	129.0650	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	128.7310	0.000	1	128.7310	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.5905	0.433	4	132.5905	0.188	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	132.7100	0.324	2	132.7100	0.105	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCH){1|H<1>,2|C<3>}	132.2820	0.247	2	132.2820	0.061	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCN){1|H<1>,2|C<3>}	132.3940	0.308	2	132.3940	0.095	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CNN){1|H<1>,2|C<3>}	132.0460	0.010	2	132.0460	0.000	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCC){1|H<1>,2|C<3>}	132.1750	0.000	1	132.1750	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCH){1|H<1>,2|C<3>}	132.9325	1.100	2	132.9325	1.209	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCN){1|H<1>,2|C<3>}	133.9060	0.000	1	133.9060	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]O){1|H<1>,2|C<3>}	133.0150	0.000	1	133.0150	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	132.4430	0.000	1	132.4430	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CNN){1|H<1>,2|C<3>}	131.8625	0.633	2	131.8625	0.401	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(COO){1|H<1>,2|C<3>}	133.0730	0.000	1	133.0730	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])(CCC){1|C<4>,1|H<1>,3|C<3>}	131.5140	0.000	1	131.5140	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	131.3850	0.014	2	131.5700	0.103	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCC){2|C<3>,2|H<1>}	131.9400	0.000	1	131.5700	0.103	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO){1|H<1>,3|C<3>}	131.1820	0.000	1	131.1820	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	131.7910	0.163	2	131.8023	0.014	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C){2|C<3>,2|H<1>}	131.8250	0.000	1	131.8023	0.014	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CNO){2|C<3>,2|H<1>}	132.5810	0.000	1	132.5810	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(COO){1|C<4>,1|H<1>,2|C<3>}	132.7025	0.111	2	132.7025	0.012	2	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CNN){1|H<1>,2|C<3>}	132.3280	0.000	1	132.3280	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[3]O){1|H<1>,2|C<3>}	133.5815	0.114	4	133.5815	0.013	4	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[4]O){1|H<1>,2|C<3>}	133.4688	0.698	8	133.4688	0.487	8	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CNO){1|H<1>,2|C<3>}	133.7843	0.267	3	133.7843	0.072	3	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	134.3750	0.000	1	134.3750	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCO){1|C<3>,1|N<2>,2|H<1>}	134.2780	0.000	1	134.2780	0.000	1	131.2331	1.477	184	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	128.9240	0.000	1	128.9240	0.000	1	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,7|C<3>}	129.9670	0.000	1	129.9670	0.000	1	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[5a]Ir){2|H<1>,5|C<3>}	130.0440	0.000	1	130.0440	0.000	1	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	130.0313	0.774	3	130.0313	0.599	3	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]C){1|N<2>,2|H<1>,5|C<3>}	129.3590	0.000	1	129.3590	0.000	1	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(C[5a]N[5a]C){1|H<1>,4|C<3>}	132.7420	0.000	1	132.7420	0.000	1	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	131.2925	0.349	2	131.2925	0.122	2	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	133.1835	0.037	2	133.1835	0.001	2	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	131.8140	0.000	1	131.1623	0.321	3	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]N[5a]O){3|H<1>,5|C<3>}	130.8365	0.076	2	131.1623	0.321	3	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5a]N[5a]O){3|H<1>,4|C<3>}	132.0225	0.203	4	132.0225	0.041	4	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6]C[5a])(C[5a]N[5a]H){1|B<4>,2|H<1>,4|C<3>}	132.2785	0.326	2	132.2785	0.106	2	131.2484	1.648	21	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC){1|C<2>,1|H<1>,2|C<3>}	131.1560	0.389	2	131.1560	0.151	2	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NHH){1|H<1>,3|C<3>}	129.3940	0.000	1	129.3940	0.000	1	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){2|H<1>,4|C<3>}	129.5830	0.000	1	129.6245	0.003	2	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	129.6660	0.000	1	129.6245	0.003	2	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H){2|C<3>,2|H<1>}	129.8090	0.000	1	129.8090	0.000	1	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,1|O<2>,4|C<3>}	128.9490	0.000	1	129.0063	0.193	3	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	129.0350	0.618	2	129.0063	0.193	3	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NHH){1|H<1>,1|N<3>,3|C<3>}	132.8090	0.000	1	132.8090	0.000	1	130.0592	1.635	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a]){2|H<1>,4|C<3>}	129.4957	0.360	4	129.4957	0.129	4	130.8367	1.256	11	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	130.8540	0.000	1	130.8540	0.000	1	130.8367	1.256	11	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PN[5a]2){1|H<1>,2|C<3>}	131.7278	0.207	6	131.7278	0.043	6	130.8367	1.256	11	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.8433	0.314	3	128.7206	0.087	5	128.7206	0.087	5	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.5365	0.196	2	128.7206	0.087	5	128.7206	0.087	5	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.3020	0.000	1	128.3020	0.000	1	128.3020	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){3|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.1240	0.000	1	131.1240	0.000	1	131.1240	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.7810	0.000	1	127.7810	0.000	1	127.7810	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|F<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|F<1>,4|C<3>}	133.0970	0.000	1	133.0970	0.000	1	133.0970	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	130.4127	0.628	6	130.4127	0.395	6	130.2815	0.277	14	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<6>,3|H<1>,4|B<6>,5|C<3>}	130.3570	0.962	2	130.3570	0.925	2	130.2815	0.277	14	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,4|B<6>,5|C<3>}	130.1252	0.296	6	130.1252	0.087	6	130.2815	0.277	14	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.0310	0.000	1	129.5897	0.234	3	129.5897	0.234	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	129.8690	0.000	2	129.5897	0.234	3	129.5897	0.234	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|O<2>,2|H<1>,3|C<3>}	128.2340	0.000	1	128.2340	0.000	1	129.6657	1.641	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|H<1>,4|C<3>}	130.0590	0.000	1	130.0590	0.000	1	129.6657	1.641	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCO){2|H<1>,4|C<3>}	130.7040	0.000	1	130.7040	0.000	1	129.6657	1.641	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	127.9940	0.000	1	127.9940	0.000	1	129.6107	2.736	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.5380	0.000	1	129.5380	0.000	1	129.6107	2.736	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.3000	0.000	1	131.3000	0.000	1	129.6107	2.736	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.5483	0.410	3	129.5483	0.168	3	129.5483	0.168	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>,3|C<3>}	130.0440	0.000	1	130.0440	0.000	1	130.0440	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	130.5381	0.389	8	130.5381	0.152	8	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]N[6a]){2|N<3>,3|H<1>,4|C<3>}	131.9980	0.478	4	131.9980	0.228	4	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	130.3460	0.397	4	130.3460	0.157	4	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	130.5375	0.763	2	130.4171	0.127	9	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|F<1>,7|C<3>}	130.3942	0.280	6	130.4171	0.127	9	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.3140	0.000	1	130.4171	0.127	9	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.0780	0.000	1	130.0780	0.000	1	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.5730	0.707	2	130.5730	0.500	2	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	131.0400	0.055	4	131.0400	0.003	4	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	130.3675	0.599	2	130.3675	0.359	2	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Li)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	131.4260	0.269	4	131.4260	0.072	4	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	130.3748	0.586	4	130.3748	0.343	4	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	131.3670	0.000	1	131.3670	0.000	1	130.7471	0.417	43	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(COO){1|C<4>,1|H<1>,5|C<3>}	129.5820	0.000	2	129.5820	0.000	2	129.2793	0.275	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CHH){1|H<1>,3|C<3>,3|C<4>}	128.6740	0.000	1	128.6740	0.000	1	129.2793	0.275	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	130.9550	0.119	2	131.2400	0.251	3	131.2400	0.251	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	131.8100	0.000	1	131.2400	0.251	3	131.2400	0.251	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	128.2900	0.208	2	128.2900	0.043	2	128.2900	0.043	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.8867	0.494	3	130.8867	0.244	3	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){2|C<4>,2|H<1>,3|C<3>}	131.0610	0.000	1	130.9445	0.027	2	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCO){1|C<4>,3|C<3>,3|H<1>}	130.8280	0.000	1	130.9445	0.027	2	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,2|C<3>,4|C<4>}	131.0830	0.912	2	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){2|C<3>,2|C<4>,3|H<1>}	130.4708	1.014	6	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	129.9620	0.000	1	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	130.7560	0.000	1	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|N<3>,2|H<1>,4|C<3>}	130.4620	0.000	1	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	129.9253	0.105	3	130.4248	0.612	14	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CCO){1|C<4>,1|H<1>,3|C<3>}	131.2260	0.000	1	131.2260	0.000	1	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	130.2750	0.000	1	130.2750	0.000	1	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|C<4>,1|H<1>,3|C<3>}	130.4450	0.608	3	130.3483	0.284	4	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(COO){1|H<1>,2|C<3>,2|C<4>}	130.0580	0.000	1	130.3483	0.284	4	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(COO){1|H<1>,2|C<3>,2|C<4>}	131.3554	0.393	5	131.3554	0.155	5	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.6525	0.153	2	130.6525	0.024	2	130.6710	0.462	32	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	126.9660	0.659	2	126.9660	0.434	2	129.1057	4.356	7	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,2|H<1>,6|C<3>}	130.8490	0.086	2	130.7605	0.040	4	129.1057	4.356	7	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){2|C<4>,3|H<1>,4|C<3>}	130.8730	0.000	1	130.7605	0.040	4	129.1057	4.356	7	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	130.4710	0.000	1	130.7605	0.040	4	129.1057	4.356	7	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	126.7660	0.000	1	126.7660	0.000	1	129.1057	4.356	7	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2){2|H<1>,4|C<3>}	129.8597	0.297	3	129.8597	0.088	3	129.8597	0.088	3	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	128.0860	0.000	1	128.0860	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CHO){1|H<1>,5|C<3>}	128.5190	0.000	1	128.5190	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCC){1|H<1>,1|N<3>,4|C<3>}	128.3790	0.000	1	128.3790	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(COO){1|H<1>,4|C<3>}	129.4000	0.000	1	129.4000	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	129.7829	0.720	20	129.8192	0.572	24	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	130.0007	1.025	4	129.8192	0.572	24	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	130.3230	0.752	2	130.2777	0.289	3	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	130.1870	0.000	1	130.2777	0.289	3	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[3,5]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[3,5]O){2|H<1>,4|C<3>}	129.6990	0.897	2	129.6990	0.804	2	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2){1|N<2>,2|H<1>,3|C<3>}	129.3730	0.000	1	129.3730	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	128.9825	0.420	6	128.9825	0.176	6	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	130.8524	0.595	5	130.2404	0.461	36	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	130.1417	0.647	31	130.2404	0.461	36	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CClC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CClC){2|H<1>,4|C<3>}	128.8395	0.217	4	128.8395	0.047	4	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHO){2|H<1>,4|C<3>}	129.5755	0.442	4	129.5755	0.195	4	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CMoH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CMoH){2|H<1>,4|C<3>}	128.8670	0.634	2	128.8670	0.401	2	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]O){2|H<1>,4|C<3>}	129.9023	0.611	4	129.9023	0.373	4	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	131.3415	0.105	2	130.1966	1.370	5	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|H<1>,1|O<2>,4|C<3>}	128.5900	0.000	1	130.1966	1.370	5	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|N<2>,2|H<1>,3|C<3>}	129.7250	0.000	1	130.1966	1.370	5	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){2|H<1>,4|C<3>}	129.9850	0.000	1	130.1966	1.370	5	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CSS)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	130.4371	0.502	8	130.4371	0.252	8	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	131.1880	0.000	1	131.1880	0.000	1	129.8930	0.684	104	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a,6a]C[5a]){1|N<3>,3|H<1>,6|C<3>}	129.2500	0.788	2	129.2500	0.620	2	129.3702	0.203	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5a]C[5a]S[5a]){3|H<1>,6|C<3>}	129.4002	0.410	8	129.4002	0.168	8	129.3702	0.203	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|C<4>,3|H<1>,5|C<3>}	130.0180	0.220	4	129.4743	0.433	8	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[5,6]C[6]){1|Zr<13>,2|H<1>,3|C<4>,5|C<3>}	128.9305	0.416	4	129.4743	0.433	8	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,3|H<1>,6|C<3>}	129.2873	0.505	4	129.2787	0.194	6	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]){3|H<1>,7|C<3>}	129.2615	0.453	2	129.2787	0.194	6	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]2){1|N<3>,4|H<1>,5|C<3>}	129.9521	1.082	19	129.9521	1.170	19	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	129.6460	0.276	2	129.8872	1.024	17	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|N<3>,3|H<1>,5|C<3>}	131.1585	0.261	2	129.8872	1.024	17	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Cu<4>,3|H<1>,6|C<3>}	128.8655	0.287	4	129.8872	1.024	17	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,6|C<3>}	130.1338	0.836	6	129.8872	1.024	17	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	130.0697	1.502	3	129.8872	1.024	17	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]N[6]2){1|Pd<4>,1|H<1>,6|C<3>}	130.9620	0.202	2	130.9620	0.041	2	129.8185	0.926	52	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.1720	0.000	1	127.1720	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.1960	0.000	1	128.4020	1.190	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.3245	0.063	2	128.4020	1.190	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.7630	0.000	1	128.4020	1.190	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.1020	0.000	1	127.1020	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	127.2660	0.000	1	127.2660	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	129.6795	0.862	2	129.6795	0.743	2	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.8520	0.000	1	128.8520	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.4000	0.000	1	129.4000	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	128.5270	0.000	1	128.4823	0.295	6	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	128.4734	0.607	5	128.4823	0.295	6	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	129.3770	0.351	4	129.1774	0.236	16	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	129.2752	0.360	10	129.1774	0.236	16	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[5a,6a]C[6a]){1|N<3>,3|H<1>,6|C<3>}	128.2895	0.407	2	129.1774	0.236	16	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6,6a]C[6a]){1|O<2>,3|H<1>,6|C<3>}	128.7580	0.259	2	128.7580	0.067	2	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,6|C<3>}	128.7808	0.379	4	129.3335	0.361	10	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){3|H<1>,7|C<3>}	129.7020	0.395	6	129.3335	0.361	10	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	125.7565	0.194	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.1095	0.039	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.7072	0.413	15	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.4920	0.033	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	129.4645	0.516	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	129.8980	0.544	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.7082	0.871	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.8183	0.789	41	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	129.4808	0.463	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	129.3630	0.574	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	128.7570	0.182	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	128.2985	0.193	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	129.2851	0.578	14	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,3|H<1>,6|C<3>}	128.8427	0.454	21	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	129.0995	0.216	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	128.7600	0.030	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	129.0225	0.421	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	129.3590	0.345	55	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	129.4515	0.019	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	128.6583	0.269	3	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	128.5457	0.147	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	128.8937	0.332	6	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	129.5517	0.525	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	129.3165	0.749	4	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|N<2>,4|C<3>,4|H<1>}	129.1170	0.042	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.2815	0.431	34	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.4232	0.544	481	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.7220	1.108	12	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.6990	0.214	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|P<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.9495	0.203	2	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.6555	0.513	23	129.4011	0.365	757	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|N<2>,3|H<1>,5|C<3>}	129.8415	0.194	2	129.4695	0.363	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	128.5980	0.000	1	129.4695	0.363	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	129.5970	0.000	1	129.4695	0.363	4	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	127.9130	0.000	1	130.5123	0.565	70	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	129.6820	0.000	1	130.5123	0.565	70	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	129.3840	0.034	2	130.5123	0.565	70	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){2|H<1>,6|C<3>}	130.5984	0.662	66	130.5123	0.565	70	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	129.5170	0.000	1	129.5170	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.6110	0.000	1	129.6110	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	129.2990	0.000	1	129.2990	0.000	1	129.4655	0.499	879	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(NOO){2|H<1>,4|C<3>}	131.2995	0.441	2	131.2995	0.194	2	131.2995	0.194	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5]B[5]C[5]){3|H<1>,8|C<3>}	129.2595	0.312	2	129.2595	0.097	2	129.2595	0.097	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	128.2185	0.595	8	128.2185	0.353	8	128.7902	0.826	13	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){2|H<1>,8|C<3>}	129.5785	0.325	4	129.7048	0.159	5	128.7902	0.826	13	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	130.2100	0.000	1	129.7048	0.159	5	128.7902	0.826	13	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]){2|H<1>,4|C<3>}	129.1118	0.556	4	129.1118	0.309	4	129.2752	0.573	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2){2|H<1>,4|C<3>}	129.3842	0.900	6	129.3842	0.811	6	129.2752	0.573	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Mn)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	132.0600	0.000	1	132.0600	0.000	1	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){1|C<4>,1|H<1>,4|C<3>}	129.9050	0.000	1	131.2085	3.398	2	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(C[6]N[6]2){2|H<1>,4|C<3>}	132.5120	0.000	1	131.2085	3.398	2	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	131.8612	1.613	5	131.7577	2.146	6	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	131.2400	0.000	1	131.7577	2.146	6	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ru)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	133.7770	0.000	1	133.7770	0.000	1	131.8800	2.084	10	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.7050	0.000	1	129.7050	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	128.8790	0.000	1	128.8790	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	129.2530	0.000	1	129.2530	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|C<4>,1|H<1>,6|C<3>}	131.6150	0.000	1	131.1070	0.516	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(C[6a]N[6a]2){1|S<2>,2|H<1>,5|C<3>}	130.5990	0.000	1	131.1070	0.516	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.2223	0.213	3	129.5830	0.191	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,3|H<1>,4|C<3>}	130.2960	0.000	1	129.5830	0.191	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.8215	0.029	2	129.5830	0.191	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	129.1900	0.000	1	129.5830	0.191	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	129.8680	0.000	1	129.5830	0.191	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.3903	0.312	3	131.0478	0.503	13	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	130.7710	0.000	1	131.0478	0.503	13	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|H<1>,5|C<3>}	129.3800	0.000	1	131.0478	0.503	13	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.7870	0.000	1	131.0478	0.503	13	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.0733	0.589	7	131.0478	0.503	13	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	130.0170	0.000	1	129.6580	0.258	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	129.2990	0.000	1	129.6580	0.258	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	130.4140	0.000	1	130.2461	0.287	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.2320	0.000	1	130.2461	0.287	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	129.7160	0.498	2	130.2461	0.287	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	130.6277	0.580	3	130.2461	0.287	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.0080	0.000	1	130.2461	0.287	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	130.3390	0.000	1	130.3340	0.117	4	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	129.9030	0.000	1	130.3340	0.117	4	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	130.5470	0.274	2	130.3340	0.117	4	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	130.3030	0.088	2	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	130.7550	0.000	1	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	128.5080	0.000	1	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,4|C<3>}	130.2560	0.000	1	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	128.8095	1.245	2	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	130.7840	0.000	1	129.8160	1.112	8	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	131.7360	0.255	2	131.5660	0.119	3	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]2){2|C<3>,2|H<1>,2|N<2>}	131.2260	0.000	1	131.5660	0.119	3	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.2090	0.000	1	129.2090	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.9485	0.534	2	129.9485	0.285	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){1|H<1>,1|I<1>,4|C<3>}	130.8730	0.000	1	131.1137	0.052	3	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.3270	0.000	1	131.1137	0.052	3	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.1410	0.000	1	131.1137	0.052	3	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(C[6a]C[6a]2){4|C<3>,4|H<1>}	129.9500	0.000	1	129.9500	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(C[6a]N[6a]2){2|H<1>,4|C<3>}	131.6810	0.000	1	131.6810	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	130.8140	0.000	1	130.8140	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	129.2490	0.000	1	129.2490	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	129.9790	0.000	1	129.9790	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	131.6585	0.136	2	131.6585	0.019	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	128.5800	0.000	1	128.5800	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	128.6490	0.000	1	128.6490	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.2480	0.000	1	131.2480	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.9080	0.000	1	131.9070	0.268	46	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	132.5450	0.000	1	131.9070	0.268	46	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	132.0330	0.239	2	131.9070	0.268	46	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.8862	0.567	36	131.9070	0.268	46	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.8827	0.245	6	131.9070	0.268	46	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	131.6712	0.381	5	131.7260	0.134	6	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	132.0000	0.000	1	131.7260	0.134	6	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	131.9190	0.000	1	131.9190	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]N[6a]2){1|H<1>,1|N<2>,3|C<3>}	133.9650	0.000	1	133.9650	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	131.6720	0.000	1	132.6299	0.314	18	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,2|F<1>,4|C<3>}	132.6190	0.000	1	132.6299	0.314	18	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	133.1930	0.000	2	132.6299	0.314	18	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	131.9980	0.000	1	132.6299	0.314	18	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	132.6665	0.530	13	132.6299	0.314	18	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|H<1>,2|C<4>,4|C<3>}	131.1935	0.315	2	131.1935	0.099	2	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	131.6610	0.000	1	131.6610	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	131.7330	0.000	1	131.7330	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	131.3780	0.000	1	131.3780	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	132.2950	0.000	1	132.2950	0.000	1	131.2610	1.385	145	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	130.5640	0.000	1	130.7520	0.082	3	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	130.8460	0.332	2	130.7520	0.082	3	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	129.4170	0.454	2	129.4170	0.206	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	131.8280	0.208	2	131.8280	0.043	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	130.3880	0.000	2	130.3880	0.000	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	129.9810	1.259	2	129.9810	1.584	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	130.4470	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	130.7650	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	130.5520	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	131.0980	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	131.2870	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	130.6860	0.000	1	130.8058	0.105	6	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C[5]){1|C<4>,4|H<1>,5|C<3>}	131.1680	0.000	1	131.1680	0.000	1	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	129.5160	0.000	1	130.3230	1.232	3	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	131.5890	0.000	1	130.3230	1.232	3	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	129.8640	0.000	1	130.3230	1.232	3	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]N){2|H<1>,5|C<3>}	129.6550	0.000	1	129.6550	0.000	1	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	130.5190	0.000	1	130.5190	0.000	1	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]N[5a]C){2|H<1>,5|C<3>}	131.3610	0.057	2	131.3610	0.003	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	131.2430	0.000	1	131.2430	0.000	1	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(C[5a]N[5a]H){1|H<1>,6|C<3>}	131.8975	0.445	2	131.8975	0.198	2	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]N[5a]C){2|H<1>,4|C<3>}	132.2720	0.000	1	132.2720	0.000	1	130.7814	0.729	29	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	130.8480	0.000	1	130.8480	0.000	1	130.8480	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	127.8920	0.000	1	127.8920	0.000	1	127.8920	0.000	1	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,5|C<3>}	132.4270	0.055	2	132.4270	0.003	2	132.4270	0.003	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]N[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|N<2>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	129.9663	1.020	4	129.9663	1.039	4	129.9663	1.039	4	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.6450	0.322	2	127.6450	0.104	2	127.6450	0.104	2	130.0222	1.479	1632	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5,5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	138.9850	0.000	1	138.9850	0.000	1	138.9850	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	134.3380	0.000	1	134.3380	0.000	1	133.1807	1.114	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	131.1900	0.000	1	131.1900	0.000	1	133.1807	1.114	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	133.2610	0.000	1	133.2610	0.000	1	133.1807	1.114	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	133.3340	0.127	2	133.3340	0.016	2	133.1807	1.114	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	133.6270	0.000	1	133.6270	0.000	1	133.1807	1.114	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	132.3440	0.000	1	132.3440	0.000	1	132.8525	0.517	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	133.3610	0.000	1	133.3610	0.000	1	132.8525	0.517	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(CCHH){1|H<1>,3|C<3>}	133.1080	0.000	1	133.1080	0.000	1	133.1080	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	132.3380	0.000	1	132.3380	0.000	1	132.3380	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,3|C<3>}	127.5110	0.000	1	127.5110	0.000	1	129.8044	2.345	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Fe)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.6760	0.000	1	131.6760	0.000	1	129.8044	2.345	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	130.4660	0.000	1	130.4660	0.000	1	129.8044	2.345	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.6845	0.388	2	129.6845	0.151	2	129.8044	2.345	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|S<2>,2|H<1>,3|C<3>}	128.8690	0.000	1	128.8690	0.000	1	128.8690	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.6670	0.124	2	128.7318	0.125	4	128.7312	0.094	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.7965	0.585	2	128.7318	0.125	4	128.7312	0.094	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.7290	0.000	1	128.7290	0.000	1	128.7312	0.094	5	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.9900	1.017	2	128.8713	0.363	4	128.8713	0.363	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.7525	0.009	2	128.8713	0.363	4	128.8713	0.363	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CH3){1|H<1>,2|C<3>}	127.1920	0.000	1	127.1920	0.000	1	127.1920	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.0828	0.817	5	128.2882	0.788	6	128.2311	0.679	7	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3150	0.000	1	128.2882	0.788	6	128.2311	0.679	7	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	127.8890	0.000	1	127.8890	0.000	1	128.2311	0.679	7	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.9850	0.000	1	129.9850	0.000	1	129.6650	0.131	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.1510	0.000	1	129.5583	0.128	3	129.6650	0.131	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.7620	0.083	2	129.5583	0.128	3	129.6650	0.131	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	131.5270	0.759	2	131.5270	0.577	2	131.5270	0.577	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	133.8690	0.000	1	133.8690	0.000	1	134.7150	1.431	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Br<1>,2|C<3>}	135.5610	0.000	1	135.5610	0.000	1	134.7150	1.431	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){2|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|Cl<1>,2|C<3>}	134.4920	0.000	1	134.4920	0.000	1	133.4837	5.773	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|Cl<1>,2|C<3>}	135.2180	0.000	1	135.2180	0.000	1	133.4837	5.773	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]Cl)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|Cl<1>,2|C<3>}	130.7410	0.000	1	130.7410	0.000	1	133.4837	5.773	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:F-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]F)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(F){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|F<1>,1|H<1>,2|C<3>}	133.8320	0.996	2	133.8320	0.991	2	133.8320	0.991	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](B[5a]C[3x3,4,3x5,14x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,4|B<6>}	130.1772	0.195	4	130.1772	0.038	4	130.1715	0.023	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](B[5a]C[5x3,5x5,20x6]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,2|C<3>,5|B<6>}	130.1600	0.025	2	130.1600	0.001	2	130.1715	0.023	6	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	131.0920	0.864	2	131.0920	0.747	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	130.6346	0.287	24	130.6346	0.082	24	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]N[5a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	130.5717	0.214	30	130.5717	0.046	30	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(CCCH){1|H<1>,3|C<3>}	131.5880	0.000	1	131.5880	0.000	1	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	130.9153	0.265	18	130.9153	0.070	18	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.4580	0.479	2	130.4580	0.230	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.1197	0.969	6	131.2500	0.729	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.6410	0.023	2	131.2500	0.729	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	130.7092	0.430	8	130.7092	0.185	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.8395	1.743	2	131.8395	3.038	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.7146	0.717	14	131.6906	0.456	16	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ir)(CHHP){1|H<1>,3|C<3>}	131.5230	0.308	2	131.6906	0.456	16	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ni)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.4274	0.403	18	131.4274	0.162	18	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pd)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.2000	0.540	14	131.2000	0.292	14	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.8965	0.076	2	130.8965	0.006	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.3010	0.497	4	131.1272	0.337	5	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Pt)(CHHP){1|H<1>,3|C<3>}	130.4320	0.000	1	131.1272	0.337	5	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.6515	1.049	2	130.6515	1.100	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Rh)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.7113	0.412	4	131.7113	0.169	4	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	130.9475	0.333	2	131.3989	0.410	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.1190	0.587	2	131.3989	0.410	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.7645	0.662	4	131.3989	0.410	8	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	132.3080	0.000	1	132.3080	0.000	1	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Pt)(CH3){1|H<1>,2|C<3>}	131.9795	0.260	2	131.9795	0.067	2	131.0508	0.390	167	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]3){2|C<3>,2|H<1>}	129.8500	0.000	1	129.8500	0.000	1	129.8500	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	127.2097	0.378	3	127.2097	0.143	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	129.6170	0.000	1	129.6170	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Br<1>,1|H<1>,2|C<3>}	129.5000	0.000	1	129.5000	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	129.7120	0.000	1	129.7120	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	129.6110	0.000	1	129.5973	0.066	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	129.5905	0.364	2	129.5973	0.066	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	129.8475	0.726	2	129.4480	0.626	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	129.0485	0.844	2	129.4480	0.626	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	130.1350	0.000	1	130.1730	0.003	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CC[5a]CH){2|C<3>,2|H<1>,3|C<4>}	130.2110	0.000	1	130.1730	0.003	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.7450	0.000	1	129.7450	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CCHH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	129.4440	0.000	1	129.4440	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	129.7450	0.000	1	129.7450	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|C<4>,1|H<1>,4|C<3>}	129.6245	0.227	2	129.7652	0.051	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){2|H<1>,4|C<3>}	129.9775	0.025	2	129.7652	0.051	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(CH3){1|H<1>,1|O<2>,4|C<3>}	129.6220	0.000	1	129.7652	0.051	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.8790	0.304	2	129.0263	2.227	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]B)(CH3){1|H<1>,3|C<3>}	127.3210	0.000	1	129.0263	2.227	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	129.7320	0.000	1	130.4945	0.375	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	130.0280	0.000	1	130.4945	0.375	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|H<1>,3|C<3>}	130.8017	0.483	4	130.4945	0.375	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	129.9260	0.371	2	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.8840	0.308	5	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	130.1170	0.000	1	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	129.0220	0.469	5	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	130.6780	0.000	1	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){2|C<3>,2|H<1>}	129.6930	0.259	2	129.6602	0.343	16	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	131.5030	0.000	1	131.5030	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	130.1790	0.000	1	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	130.6290	0.000	1	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	130.6070	0.000	1	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	130.1027	0.233	3	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	129.6265	0.241	2	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){2|C<3>,2|H<1>}	128.8500	0.000	1	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	127.6020	0.000	1	129.7428	0.854	10	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.7170	0.214	2	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|I<1>,2|C<3>}	128.8390	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	129.4500	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	129.1497	0.247	6	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|S<3>,2|C<3>}	129.7310	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	129.2695	0.015	2	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	129.2610	0.069	2	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.9535	0.224	2	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.8856	0.376	14	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.1740	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.2685	0.506	2	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.2350	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	128.9140	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.9270	0.633	7	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	129.4709	0.681	16	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	129.8220	0.372	3	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.5680	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	129.8572	0.317	6	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,3|C<3>}	128.8115	1.032	4	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){2|C<3>,2|H<1>}	129.3850	0.000	1	129.6272	0.364	74	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	129.6650	0.000	1	129.6650	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	130.9590	0.000	1	130.9590	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	129.6180	0.000	1	129.8410	0.099	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(CH3){3|H<1>,4|C<3>}	130.0640	0.000	1	129.8410	0.099	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	129.8130	0.000	1	129.8130	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	129.7817	0.941	3	129.8050	0.372	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	129.4770	0.000	1	129.8050	0.372	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	130.0420	0.000	1	129.8050	0.372	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	129.8452	0.587	4	129.8050	0.372	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	130.4880	0.385	11	130.1589	0.437	15	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	129.5770	0.000	1	130.1589	0.437	15	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	129.1460	0.123	3	130.1589	0.437	15	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	129.5530	0.000	1	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	129.7640	1.026	4	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	129.3270	0.000	1	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	128.6996	0.226	5	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	129.6970	0.157	2	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	129.6540	0.279	5	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.5885	0.111	2	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	129.5574	0.469	7	129.4510	0.335	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){1|C<4>,1|H<1>,2|C<3>}	131.3090	0.000	1	130.8307	0.187	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC3){2|C<3>,2|H<1>}	130.6713	0.359	3	130.8307	0.187	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCCH){1|Br<1>,1|H<1>,2|C<3>}	130.5250	0.000	1	130.5250	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|B<3>,1|H<1>,2|C<3>}	129.6490	0.148	2	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.4567	0.736	7	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	129.7210	0.000	1	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,1|S<2>,2|C<3>}	130.1770	0.000	1	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){2|C<3>,2|H<1>}	129.6893	0.612	3	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	129.3812	0.450	13	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCHH){1|H<1>,3|C<3>}	128.8955	0.587	4	129.4193	0.320	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	129.7500	0.000	1	129.7500	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]CH){2|C<3>,2|H<1>}	128.8420	0.000	1	128.8420	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	129.9890	0.132	2	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	129.8561	0.573	15	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	130.9710	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	129.9985	0.269	2	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	129.2550	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	129.9550	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	129.0190	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){2|C<3>,2|H<1>}	130.0740	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	129.5702	0.458	24	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	130.0860	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,3|C<3>}	130.9520	0.000	1	129.7563	0.300	50	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	129.3840	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|B<3>,1|H<1>,2|C<3>}	129.3060	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.0610	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.9980	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.3640	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.8970	1.460	9	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.8790	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.9393	0.462	67	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.4960	0.389	5	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.9738	0.595	6	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	128.8860	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	128.6480	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	130.1650	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|S<2>,2|C<3>}	129.7350	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.6295	0.543	8	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	128.8860	0.075	2	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	130.5210	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	130.2752	0.740	4	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.4965	1.993	2	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	127.3540	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	129.2960	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	128.9400	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|Si<4>,1|H<1>,2|C<3>}	129.8663	0.374	7	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	129.4607	0.754	4	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	129.2205	0.512	59	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	129.9558	0.425	5	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	129.0590	0.000	1	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	128.6480	0.003	2	129.6042	0.579	195	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	130.6480	0.000	1	129.6695	1.915	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CHHO){1|H<1>,3|C<3>}	128.6910	0.000	1	129.6695	1.915	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CIrNN){2|C<3>,2|H<1>}	129.4810	0.000	1	129.4810	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Ir)(CH3){1|H<1>,3|C<3>}	127.8677	0.578	3	127.8677	0.334	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	127.9070	0.000	1	128.9200	2.052	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CCHH){1|H<1>,3|C<3>}	129.9330	0.000	1	128.9200	2.052	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	130.0420	0.352	2	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|Br<1>,1|H<1>,2|C<3>}	129.6395	0.260	2	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.3510	0.000	1	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	129.1030	0.000	1	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	129.9890	0.000	1	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|S<2>,2|C<3>}	129.6220	0.098	2	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<2>,2|C<3>}	128.2615	0.527	2	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,1|N<3>,2|C<3>}	129.9535	0.059	2	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|H<1>,3|C<3>}	129.4251	0.251	7	129.5228	0.323	20	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|N<2>,2|H<1>,3|C<3>}	128.9610	0.000	1	128.9610	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	129.6410	0.000	1	129.6410	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	131.3630	0.000	1	131.3630	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	128.6460	0.000	1	128.6460	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){2|C<3>,2|H<1>}	129.0310	0.000	1	129.5840	0.253	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	129.7070	0.000	1	129.5840	0.253	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CH3){1|H<1>,3|C<3>}	130.0140	0.000	1	129.5840	0.253	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CCHH){1|H<1>,3|C<3>}	129.1270	0.369	2	129.1270	0.136	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){2|C<3>,2|H<1>}	130.9230	0.000	1	129.4745	4.196	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CC[5]HH){1|H<1>,3|C<3>}	128.0260	0.000	1	129.4745	4.196	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)(CHHN){2|C<3>,2|H<1>}	130.4400	0.000	1	130.4400	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Rh)(CH3){1|H<1>,3|C<3>}	128.6250	0.000	1	128.6250	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.3980	1.192	3	129.3980	1.420	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	130.0375	0.351	2	130.1311	0.108	7	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	129.9270	0.000	1	130.1311	0.108	7	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(CH3){2|C<3>,2|H<1>}	130.2290	0.377	4	130.1311	0.108	7	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(CHHO){2|C<3>,2|H<1>,3|C<4>}	131.5570	0.000	1	131.5570	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	129.0867	0.645	6	129.0867	0.416	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){2|C<3>,2|H<1>}	131.4030	0.066	2	131.4030	0.004	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	129.6130	0.000	1	129.6130	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[5a]HH){1|C<3>,1|N<2>,2|H<1>}	133.7150	0.000	1	133.7150	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.7010	0.000	1	131.7010	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	128.7468	0.424	5	128.7468	0.180	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	129.7890	0.000	1	129.7890	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	129.6240	0.126	2	129.6240	0.016	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	132.2340	0.000	1	132.2340	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.0580	0.574	4	131.0580	0.329	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.4013	0.417	3	131.4013	0.174	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.6995	0.073	2	131.6995	0.005	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	132.2277	0.389	3	132.2808	0.112	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	132.4400	0.000	1	132.2808	0.112	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	132.0610	0.000	1	131.8320	0.043	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	131.7175	0.081	2	131.8320	0.043	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	132.8085	0.298	4	132.8085	0.089	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	132.6706	0.516	5	132.6706	0.267	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.5000	0.000	1	130.5000	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	130.4450	0.000	1	130.4450	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	131.7820	0.000	1	131.7820	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.1030	0.000	1	131.1030	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	131.8800	0.553	2	131.8800	0.306	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.5740	0.000	1	131.7335	0.051	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.8930	0.000	1	131.7335	0.051	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[5]HH){1|H<1>,1|N<2>,3|C<3>}	131.8650	0.000	1	131.8650	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]2H){1|H<1>,1|S<2>,3|C<3>}	132.8980	0.000	1	132.8980	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	132.1525	0.213	2	132.9106	0.558	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	133.4160	0.367	3	132.9106	0.558	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.5060	0.000	1	131.6557	0.051	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|H<1>,4|C<3>}	131.7305	0.261	2	131.6557	0.051	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	133.6490	0.000	1	133.4663	0.063	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	133.3750	0.276	2	133.4663	0.063	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	133.0820	0.600	2	133.0820	0.360	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	131.5927	0.254	4	131.6241	0.152	35	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.7439	0.472	13	131.6241	0.152	35	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	131.5373	0.364	16	131.6241	0.152	35	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	131.6030	0.085	2	131.6241	0.152	35	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	132.6890	0.000	1	132.6890	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	132.1108	0.361	5	132.1108	0.130	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	132.3120	0.000	1	132.3120	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	132.8720	0.000	1	132.8720	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	132.6183	1.103	10	132.1137	0.828	44	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	131.9633	0.828	32	132.1137	0.828	44	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	132.1860	0.000	1	132.1137	0.828	44	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	131.8080	0.000	1	132.1137	0.828	44	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	131.1095	0.414	2	131.7409	0.308	24	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	131.6925	0.357	6	131.7409	0.308	24	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	132.2595	0.606	2	131.7409	0.308	24	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	131.7777	0.591	14	131.7409	0.308	24	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(CCHH){1|H<1>,4|C<3>}	132.4220	0.000	1	132.4220	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	131.8788	0.396	22	131.8919	0.146	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	132.1780	0.000	1	131.8919	0.146	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	131.9140	0.040	2	131.8919	0.146	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	131.8705	0.631	2	131.8919	0.146	27	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6]HH){1|H<1>,2|C<3>}	131.5260	0.000	1	131.5260	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	132.0394	0.442	20	132.0689	0.323	25	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	133.0050	0.000	1	132.0689	0.323	25	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	131.7807	1.144	3	132.0689	0.323	25	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|H<1>,2|C<3>}	132.5870	0.000	1	132.0689	0.323	25	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]HO){1|H<1>,2|C<3>}	132.8160	0.000	1	132.8160	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	132.2117	0.455	10	132.1953	0.163	13	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	132.2890	0.000	1	132.1953	0.163	13	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	132.0665	0.224	2	132.1953	0.163	13	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CCHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	132.4670	0.000	1	132.4670	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	131.4680	0.000	1	131.4680	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	132.7560	0.000	1	132.7560	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){2|C<3>,2|C<4>,2|H<1>}	131.9315	0.549	4	131.9980	0.319	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	132.1310	0.800	2	131.9980	0.319	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	132.0683	0.082	3	132.0650	0.005	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CC[6a]HH){1|H<1>,2|C<3>}	132.0550	0.000	1	132.0650	0.005	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(CN[5]HH){1|H<1>,2|C<3>}	132.4140	0.000	1	132.4140	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	131.9540	0.000	1	131.9540	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	132.0434	0.434	30	132.0372	0.183	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	131.8490	0.000	1	132.0372	0.183	31	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[3x6]HH){1|H<1>,2|C<3>}	131.8575	0.142	2	131.8575	0.020	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|H<1>,2|C<3>}	132.0073	0.380	3	132.0073	0.145	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5a]HH){1|H<1>,2|C<3>}	132.6810	0.000	1	132.6810	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]CH){1|H<1>,2|C<3>}	131.7200	0.000	1	131.7200	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	132.0470	0.000	1	132.1052	0.307	32	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	132.1071	0.563	31	132.1052	0.307	32	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	131.8520	0.496	2	132.1213	0.180	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	132.3905	0.054	2	132.1213	0.180	4	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CHHO){1|H<1>,2|C<3>}	132.1020	0.000	1	132.1020	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5]HH){1|H<1>,2|C<3>}	132.5720	0.000	1	132.5720	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN[5a]HH){1|H<1>,2|C<3>}	132.5150	0.645	5	132.5150	0.416	5	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|H<1>,2|C<3>}	130.9760	0.000	1	130.9760	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	132.3193	0.347	4	132.1690	0.156	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|H<1>,2|C<3>}	131.8685	0.383	2	132.1690	0.156	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	133.2720	0.000	1	131.9910	3.282	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	130.7100	0.000	1	131.9910	3.282	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[6])(CC[6]HH){1|H<1>,2|C<3>,2|C<4>}	130.9340	0.611	2	130.9340	0.373	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC3){2|C<3>,2|H<1>}	133.1980	0.000	1	133.1980	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCCH){1|C<4>,1|H<1>,2|C<3>}	132.5510	0.000	1	132.5510	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.7030	0.390	15	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.2015	0.202	2	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.5860	0.000	1	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	131.6921	0.318	8	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	131.7160	0.324	6	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|H<1>,3|C<3>}	130.8600	0.491	2	131.6202	0.162	34	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|C<4>,1|H<1>,2|C<3>}	131.6840	0.421	2	131.7503	0.102	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5a]HH){1|H<1>,3|C<3>}	131.8830	0.000	1	131.7503	0.102	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	131.5748	0.343	10	131.6381	0.149	14	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	132.1330	0.519	2	131.6381	0.149	14	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){2|C<3>,2|H<1>}	131.4595	0.110	2	131.6381	0.149	14	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HO){2|C<3>,2|H<1>}	132.1210	0.000	1	132.1210	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	131.9770	0.190	2	131.1121	0.614	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){2|C<3>,2|H<1>}	131.1070	0.000	1	131.1121	0.614	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.6940	0.000	1	131.1121	0.614	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	129.9120	0.000	1	131.1121	0.614	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|H<1>,3|C<3>}	131.0855	0.766	4	131.1121	0.614	9	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHO){1|C<4>,1|H<1>,2|C<3>}	131.6783	0.250	3	131.6783	0.063	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CHHS){1|C<4>,1|H<1>,2|C<3>}	131.6245	0.165	2	131.6245	0.027	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CN[5a]HH){1|H<1>,3|C<3>}	131.4650	0.206	2	131.4650	0.043	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CH3){1|H<1>,2|C<3>}	132.6160	0.000	1	132.6160	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	131.8010	0.332	5	131.8128	0.089	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	131.8720	0.000	1	131.8128	0.089	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[5]CH){1|H<1>,2|C<3>}	132.0910	0.000	1	132.0910	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]HH){1|H<1>,2|C<3>}	135.3560	1.478	2	135.3560	2.184	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CN[6]HH){1|H<1>,2|C<3>}	132.0470	0.000	1	132.0470	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Se)(CH3){1|H<1>,2|C<3>}	132.0507	0.996	6	132.0507	0.992	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Si)(CCCH){1|H<1>,2|C<3>}	133.1582	0.483	6	133.1582	0.233	6	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|H<1>,2|C<3>}	131.8240	0.327	3	131.8240	0.107	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	131.5610	0.000	1	131.5610	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	131.7490	0.354	2	131.6453	0.095	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){2|C<3>,2|H<1>}	131.4380	0.000	1	131.6453	0.095	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CCHH){1|H<1>,2|C<3>}	131.8560	0.000	1	131.8560	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CH3){1|H<1>,2|C<3>}	131.5780	0.000	1	131.5780	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCCH){1|H<1>,2|C<3>}	130.3360	0.194	2	130.3360	0.038	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHN){1|H<1>,2|C<3>}	132.1930	0.000	1	132.1930	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCCH){1|H<1>,2|C<3>}	132.7840	0.000	1	132.7840	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	131.7195	0.829	2	131.7195	0.688	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	132.6323	0.396	3	132.6323	0.157	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	134.0740	0.000	1	134.0740	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	132.7530	0.000	1	132.7530	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CN[6]HH){1|H<1>,2|C<3>}	133.1987	0.243	3	133.1987	0.059	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CHHN){1|H<1>,2|C<3>}	132.4290	0.621	3	132.4290	0.386	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	132.9375	0.240	2	132.9137	0.030	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CCHH){1|H<1>,2|C<3>}	132.8660	0.000	1	132.9137	0.030	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[5]HH){1|H<1>,2|C<3>}	133.1410	0.000	1	133.1410	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]CH){1|H<1>,2|C<3>}	133.1840	0.184	2	133.1840	0.034	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|H<1>,2|C<3>}	133.3630	0.000	1	133.3630	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<3>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CH3){1|H<1>,2|C<3>}	132.0860	0.000	1	132.0860	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	126.8497	0.272	6	126.9033	0.122	12	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(CCHH){1|H<1>,2|C<3>}	126.9570	0.432	6	126.9033	0.122	12	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	132.9790	0.000	1	132.9790	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.5225	0.087	2	133.3590	0.084	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<3>,1|N<2>,2|H<1>}	133.0320	0.000	1	133.3590	0.084	3	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.5640	0.000	1	133.5640	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.8700	0.000	1	133.8700	0.000	1	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	133.1400	0.024	2	133.1400	0.001	2	130.7010	2.146	1025	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	130.4387	0.137	3	130.4387	0.019	3	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	130.1860	0.306	3	130.1860	0.094	3	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	130.1817	0.434	3	130.1817	0.188	3	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){2|C<3>,2|H<1>}	130.2310	0.000	1	130.2310	0.000	1	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PNNO){2|C<3>,2|H<1>}	129.8950	0.228	6	129.8950	0.052	6	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PO3){2|C<3>,2|H<1>}	130.1110	0.000	1	130.1110	0.000	1	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cr){1|C<4>,1|H<1>,2|C<3>}	129.6700	0.000	1	129.6700	0.000	1	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Cu){1|C<4>,1|H<1>,2|C<3>}	131.1765	0.729	2	131.1765	0.531	2	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	130.2256	0.197	10	130.2256	0.039	10	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Ru){1|C<4>,1|H<1>,2|C<3>}	129.9940	0.469	3	129.9940	0.220	3	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PN[5a]2Ru){1|C<4>,1|H<1>,2|C<3>}	130.6663	0.445	3	130.6663	0.198	3	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(PNNO){1|H<1>,2|C<3>}	132.6150	0.000	1	132.6150	0.000	1	130.2975	0.327	37	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	131.7080	0.000	1	131.7080	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	130.0705	0.142	2	130.0705	0.020	2	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.1540	0.000	1	130.1540	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[3,6]C[5a])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	130.9055	0.016	2	130.9055	0.000	2	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Br)(SCOO){1|C<4>,1|H<1>,2|C<3>}	130.1550	0.000	1	130.1550	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SCOO){1|H<1>,3|C<3>}	130.4450	0.000	1	130.4450	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	131.0765	0.559	8	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	131.4977	0.430	4	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.5830	0.000	1	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	131.5165	0.166	2	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	131.8900	0.000	1	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	131.1455	0.358	6	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	131.1553	0.678	6	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	131.0994	0.371	16	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	131.6500	0.000	1	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.8263	0.743	4	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	130.6573	0.726	27	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	131.0965	0.141	2	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	128.9510	0.000	1	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	131.6178	0.133	5	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	130.4315	0.573	6	130.9559	0.443	90	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	131.8110	0.000	1	131.8110	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	131.2858	0.576	4	131.2858	0.332	4	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){1|N<3>,2|H<1>,4|C<3>}	130.0820	0.000	1	130.8703	0.515	3	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	131.2645	0.312	2	130.8703	0.515	3	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	129.1320	3.249	3	129.1320	10.553	3	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	130.4557	0.269	3	130.5730	0.453	7	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	131.8360	0.000	1	130.5730	0.453	7	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	129.9510	0.000	1	130.5730	0.453	7	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	130.9320	0.000	1	130.5730	0.453	7	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	129.9250	0.000	1	130.5730	0.453	7	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SCOO){1|H<1>,1|N<3>,2|C<3>}	130.1280	0.000	1	130.1280	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.2390	0.233	2	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	129.1270	0.000	1	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.5061	0.446	15	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	131.6130	0.907	2	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	130.4555	0.028	2	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	131.8980	0.000	1	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	130.6960	0.000	1	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	129.0470	0.000	1	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	130.4928	0.639	15	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	129.9125	0.996	2	130.4807	0.479	42	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|H<1>,2|I<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(SC[6a]OO){1|H<1>,1|I<1>,2|C<3>}	131.5390	0.000	1	131.5390	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SCOO){1|H<1>,3|C<3>}	129.7680	0.300	2	129.7680	0.090	2	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	131.1760	0.000	1	131.1760	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){2|C<3>,2|H<1>}	129.8830	0.000	1	129.8830	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	133.1420	0.000	1	133.1420	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	132.5380	0.000	1	132.5380	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(SC[6a]OO){2|C<3>,2|H<1>}	132.8030	0.000	1	132.8030	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	133.0240	0.000	1	133.0240	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(SC[6a]OO){1|H<1>,2|C<3>}	133.4750	0.000	1	133.4750	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	132.6340	0.000	1	132.8690	0.110	2	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[6a]OO){1|H<1>,2|C<3>}	133.1040	0.000	1	132.8690	0.110	2	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	132.3000	0.000	1	132.3000	0.000	1	130.8540	0.843	172	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|C<3>,1|O<1>,1|S<2>,2|N<3>}	132.0830	0.000	1	132.0830	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	132.2750	0.000	1	132.2750	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	131.2473	0.384	3	131.2473	0.147	3	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CCHH){1|O<1>,2|N<3>}	131.7670	0.000	1	131.7670	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<1>,2|N<3>}	131.6770	0.000	1	131.6770	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|O<1>,2|N<3>}	131.4298	0.839	4	131.4298	0.704	4	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHO){1|O<1>,2|N<3>}	132.3385	0.326	2	132.3385	0.106	2	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|O<1>,2|N<3>}	131.7417	0.562	4	131.7417	0.316	4	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){1|O<1>,2|N<3>}	132.1360	0.000	1	132.1360	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	132.0350	0.000	1	131.4027	0.619	101	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	131.3964	0.788	100	131.4027	0.619	101	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CCHH){1|O<1>,2|N<3>}	131.4660	0.000	1	131.4660	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(CC[6a]HH){1|O<1>,2|N<3>}	131.0700	0.000	1	131.0700	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CCHH){1|O<1>,2|N<3>}	131.3065	0.298	2	131.3065	0.089	2	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CCHH){1|O<1>,2|N<3>}	131.9160	0.000	1	131.9160	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Pd)(CC[6a]HH){1|O<1>,2|N<3>}	131.3880	0.000	1	131.3880	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|O<1>}	132.0140	0.000	1	132.0140	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[5]HH){1|N<2>,1|N<3>,1|O<1>}	132.2020	0.000	1	132.2020	0.000	1	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	132.2047	0.156	13	132.2047	0.024	13	131.5289	0.558	140	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.3500	0.000	1	128.3500	0.000	1	128.3500	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	130.6600	0.000	1	130.6600	0.000	1	130.6600	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	133.0620	0.000	1	134.0963	1.210	3	134.0963	1.210	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Br<1>,4|C<3>}	134.6135	0.903	2	134.0963	1.210	3	134.0963	1.210	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	132.7020	0.000	1	132.7020	0.000	1	132.7020	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	132.6060	0.000	1	132.6060	0.000	1	132.6060	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	128.8410	0.260	2	128.8410	0.068	2	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|B<3>,1|H<1>,4|C<3>}	128.9440	0.000	1	129.7481	0.386	9	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	129.8018	0.474	5	129.7481	0.386	9	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	130.8350	0.000	1	129.7481	0.386	9	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|Si<4>,1|H<1>,4|C<3>}	129.7860	0.000	1	129.7481	0.386	9	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	129.1590	0.000	1	129.7481	0.386	9	129.5832	0.450	11	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	128.3080	0.000	1	128.3080	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	128.8970	0.000	1	128.8970	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	128.0985	0.780	2	128.0985	0.608	2	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,1|N<2>,4|C<3>}	128.6320	0.000	1	128.6320	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,1|S<4>,4|C<3>}	127.9580	0.000	1	127.9580	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	128.5450	0.222	2	128.5450	0.049	2	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	128.2550	0.000	1	128.2550	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,4|C<3>}	128.3912	0.202	5	128.3912	0.041	5	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|C<2>,1|H<1>,4|C<3>}	131.1860	0.000	1	131.1860	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	129.8630	0.000	1	129.8630	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	128.6830	0.136	2	128.6830	0.018	2	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,4|C<3>}	129.9920	0.000	1	129.9920	0.000	1	128.7211	0.679	19	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	129.5880	0.000	1	129.5880	0.000	1	128.4445	2.615	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	127.3010	0.000	1	127.3010	0.000	1	128.4445	2.615	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[5a,6a]C[6a])(CH3){2|C<3>,2|H<1>,3|C<4>}	129.2770	0.000	1	129.2770	0.000	1	129.2770	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	129.3270	0.000	1	129.3270	0.000	1	129.3270	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.4180	0.000	1	129.4180	0.000	1	129.4180	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CCHH){1|H<1>,5|C<3>}	128.3510	0.000	1	128.3510	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)(CH3){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	129.2440	0.612	2	129.2440	0.375	2	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	129.3540	0.000	1	129.0502	0.121	5	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	129.2650	0.000	2	129.0502	0.121	5	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){1|H<1>,6|C<3>}	128.5640	0.000	1	129.0502	0.121	5	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(CH3){2|C<4>,2|H<1>,3|C<3>}	128.8030	0.000	1	129.0502	0.121	5	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(CH3){2|C<4>,2|H<1>,3|C<3>}	129.1830	0.000	1	129.1830	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.3430	0.000	1	128.4725	1.516	2	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	127.6020	0.000	1	128.4725	1.516	2	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	127.9120	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,3|C<3>,3|C<4>}	128.7710	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	129.8500	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|C<4>,2|H<1>,3|C<3>}	128.8810	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,3|C<3>,3|H<1>}	128.1030	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,6|C<3>}	129.1760	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	129.5085	0.404	2	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.1875	0.664	2	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	129.4630	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CH3){2|H<1>,4|C<3>}	128.6830	0.000	1	129.0192	0.392	12	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CCHH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	128.7310	0.000	1	128.7310	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5])(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	128.5140	0.000	1	128.5140	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]P[5])(CH3){1|H<1>,1|O<1>,5|C<3>}	128.6770	0.221	2	128.6770	0.049	2	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]S[5])(CH3){1|H<1>,2|C<3>,2|C<4>}	129.4180	0.000	1	129.4180	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]N[5])(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	130.5530	0.000	1	130.5530	0.000	1	129.0007	0.392	29	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	130.1530	0.000	1	129.6260	0.555	2	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	129.0990	0.000	1	129.6260	0.555	2	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	128.8480	0.000	1	128.8480	0.000	1	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.7040	0.000	1	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,3|C<3>,3|C<4>}	131.1280	0.000	1	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	129.9963	0.817	6	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	130.1717	0.378	3	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	130.3945	0.136	2	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	130.0880	0.000	1	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|H<1>,5|C<3>}	129.3400	0.000	1	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){3|H<1>,4|C<3>}	129.1580	0.000	1	130.1062	0.452	16	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,5])(SC[6a]OO){1|H<1>,6|C<3>}	129.7660	0.000	1	129.7660	0.000	1	129.9783	0.482	20	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5,6])(SiC3){1|H<1>,2|C<3>,4|C<4>}	128.9970	0.000	2	128.9970	0.000	2	128.9970	0.000	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CCHH){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	128.8592	0.268	6	128.8592	0.072	6	128.8986	0.071	7	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a,5a]2)(CC[6a]HH){1|H<1>,2|S<2>,3|C<3>}	129.1350	0.000	1	129.1350	0.000	1	128.8986	0.071	7	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]2)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.3950	0.000	1	129.3950	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[3x6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.9557	1.020	3	128.9557	1.040	3	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CCHH){1|H<1>,1|N<3>,5|C<3>}	128.7290	0.000	1	128.7290	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.5240	0.216	2	129.4898	0.122	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.0070	0.000	1	129.4898	0.122	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.1970	0.030	2	129.4898	0.122	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	129.8180	0.431	5	129.8240	0.149	6	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CH3){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	129.8540	0.000	1	129.8240	0.149	6	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	129.2013	0.414	3	129.2457	0.122	4	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(CHHO){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	129.3790	0.000	1	129.2457	0.122	4	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.1160	0.000	1	129.1160	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	130.0350	0.000	1	129.5072	0.274	9	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,4|C<3>}	128.8790	0.000	1	129.5072	0.274	9	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.5515	0.544	6	129.5072	0.274	9	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|H<1>,2|C<3>,4|C<4>}	129.3420	0.000	1	129.5072	0.274	9	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|H<1>,4|C<3>}	129.9480	0.000	1	129.2786	1.200	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){2|C<3>,2|C<4>,3|H<1>}	130.3670	0.000	1	129.2786	1.200	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,3|C<3>,3|H<1>}	129.5390	0.000	1	129.2786	1.200	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	128.2695	1.032	2	129.2786	1.200	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.4370	0.000	1	130.4370	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	128.0380	0.634	2	128.7764	1.184	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.5120	0.000	1	128.7764	1.184	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.9610	0.000	1	128.7764	1.184	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	128.3330	0.000	1	128.7764	1.184	5	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.4690	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.7520	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.3110	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.1260	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	129.2750	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	129.8750	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	129.1743	0.804	3	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	128.7967	0.319	3	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	129.5120	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.0350	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|C<4>,3|H<1>}	129.5662	0.477	5	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<3>,2|H<1>,3|C<4>}	130.1073	0.222	3	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	129.1045	0.076	2	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	129.3660	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	129.9500	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,4|C<3>}	129.1350	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	129.4980	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,3|C<3>,3|H<1>}	130.0560	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	129.8810	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	129.6330	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	129.1315	1.563	2	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	128.8065	0.791	2	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	128.3810	0.000	1	129.3724	0.381	36	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CHHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	130.4140	0.000	1	130.4140	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CCHH){1|H<1>,1|N<3>,3|C<3>}	127.9510	0.000	1	127.9510	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	128.3810	0.000	1	128.3810	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(CH3){1|B<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	128.3670	0.000	1	128.3670	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	129.3120	0.000	1	129.3120	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	129.8720	0.000	1	129.3275	0.593	2	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CH3){1|H<1>,4|C<3>}	128.7830	0.000	1	129.3275	0.593	2	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	129.4010	0.000	1	129.4440	0.302	6	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|H<1>,2|C<3>,2|C<4>}	129.5495	0.663	4	129.4440	0.302	6	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]S[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	129.0650	0.000	1	129.4440	0.302	6	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.6700	0.000	1	128.6700	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|N<3>,2|H<1>,4|C<3>}	128.3350	0.000	1	128.3350	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.0240	0.000	1	128.0240	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	129.3480	0.000	1	129.3480	0.000	1	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(CCHH){2|C<3>,2|H<1>,3|C<4>}	129.0380	0.550	4	129.0380	0.302	4	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	127.2300	0.905	2	127.2300	0.819	2	129.2590	0.555	100	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H){1|Hf<12>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5]C[5]2Hf){2|C<3>,4|C<4>,5|H<1>}	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	130.6440	0.000	1	130.5485	0.018	2	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	130.4530	0.000	1	130.5485	0.018	2	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	130.0580	0.000	1	130.0580	0.000	1	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	129.3590	0.000	1	129.3590	0.000	1	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.9170	0.206	2	129.3250	0.372	4	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	129.2820	0.000	1	129.3250	0.372	4	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	130.1840	0.000	1	129.3250	0.372	4	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	130.1020	0.000	1	130.1953	1.239	3	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|C<4>,3|C<3>,3|H<1>}	129.1320	0.000	1	130.1953	1.239	3	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	131.3520	0.000	1	130.1953	1.239	3	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	131.0860	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	131.3400	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	130.6620	0.580	4	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	130.2730	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	131.0490	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|N<3>,3|C<3>,3|H<1>}	129.6490	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	130.8160	0.000	1	130.6861	0.333	10	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	131.3725	0.777	2	131.3725	0.604	2	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.7170	0.000	1	128.7170	0.000	1	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	130.1030	0.000	1	130.1030	0.000	1	130.2730	0.768	25	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:B-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(BC[6a]2N[6]){2|H<1>,4|C<3>}	130.4935	0.549	2	130.4935	0.302	2	130.4935	0.302	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	129.2250	0.451	2	129.2250	0.204	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	127.1110	0.581	5	127.1110	0.338	5	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Cl<1>,1|H<1>,4|C<3>}	127.3000	0.000	1	127.7215	0.355	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.1430	0.000	1	127.7215	0.355	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H){2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.7910	0.000	1	128.7910	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H){2|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.3430	0.000	1	128.3430	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	126.7170	0.000	1	126.7884	0.071	8	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	126.7986	0.286	7	126.7884	0.071	8	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	127.0820	0.000	1	127.0820	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	126.9710	0.000	1	127.4870	0.506	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	127.5730	0.739	6	127.4870	0.506	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	126.6585	0.316	2	126.6585	0.100	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.3490	0.000	1	128.3490	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3183	0.196	3	129.3183	0.038	3	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.2130	0.000	1	129.2130	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3550	0.508	3	129.0987	0.243	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.8423	0.392	3	129.0987	0.243	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	129.3600	0.000	1	129.3600	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	128.4330	0.000	1	128.4330	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.1210	0.000	1	128.7423	0.051	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.6345	0.241	2	128.7423	0.051	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.6520	0.000	1	128.7423	0.051	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.6110	0.000	1	128.7423	0.051	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.8010	0.000	1	128.7423	0.051	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	128.9600	0.000	1	128.3502	1.173	4	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.5290	0.000	1	128.3502	1.173	4	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	127.4560	0.397	2	128.3502	1.173	4	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[4,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	127.6680	0.000	1	127.6680	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	126.6365	0.131	2	126.6365	0.017	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	127.7820	0.000	1	127.7820	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	127.9995	0.474	2	128.0051	0.753	14	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	127.6280	0.000	1	128.0051	0.753	14	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	127.5518	1.114	5	128.0051	0.753	14	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	128.4477	0.671	6	128.0051	0.753	14	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	129.1770	0.000	1	129.1770	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	128.3570	0.635	7	128.3570	0.404	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCCO){1|H<1>,1|N<3>,4|C<3>}	129.5115	0.134	2	129.5115	0.018	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	128.9522	0.158	5	128.9014	0.028	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,5|C<3>}	128.7745	0.142	2	128.9014	0.028	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHO){1|H<1>,1|N<3>,4|C<3>}	131.4930	0.123	2	131.4930	0.015	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,1|N<3>,4|C<3>}	129.5550	0.000	1	128.5120	1.043	3	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	127.9905	0.674	2	128.5120	1.043	3	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	128.4015	0.149	2	128.2417	0.528	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	127.6633	0.730	3	128.2417	0.528	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	128.9495	0.155	2	128.2417	0.528	7	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	128.8190	0.000	1	128.7825	0.003	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	128.7460	0.000	1	128.7825	0.003	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CC[6a]HH){1|H<1>,4|C<3>}	128.8230	0.000	1	128.8230	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	128.5183	0.351	7	128.7497	0.234	15	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,4|C<3>}	128.7817	0.477	6	128.7497	0.234	15	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CH3){1|H<1>,5|C<3>}	129.4640	0.030	2	128.7497	0.234	15	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	130.0175	0.810	2	130.0175	0.656	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.8560	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	128.3415	0.439	2	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.3750	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|Br<1>,1|H<1>,4|C<3>}	128.7440	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.4785	0.006	2	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.6423	0.428	18	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.1743	0.514	15	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.9033	0.609	4	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	128.4430	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.1763	0.562	209	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	130.8060	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3890	0.351	5	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.6043	0.299	8	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3939	0.505	78	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3820	0.122	3	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	130.0210	0.213	3	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.7410	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	129.8690	0.000	1	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.8285	0.697	19	129.2857	0.339	373	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6]HH){2|H<1>,4|C<3>}	129.1940	0.000	1	129.1940	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2H){2|H<1>,4|C<3>}	129.3570	0.703	2	129.3570	0.494	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	127.4975	0.306	4	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	129.6962	0.629	23	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	127.3910	0.404	2	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	129.3917	0.493	42	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	129.3750	0.000	1	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	129.2641	0.287	8	129.3216	0.556	80	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.6330	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.8950	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	125.9930	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.2500	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.6877	0.244	3	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.3460	0.534	4	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	128.5700	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.5560	0.010	2	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	130.4390	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	129.7420	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	129.0230	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	129.2420	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	129.0822	0.444	6	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	128.7223	0.324	3	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	128.8287	0.312	3	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	128.4733	0.065	3	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	128.9508	1.185	19	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	127.9015	0.781	2	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.1424	0.823	43	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.8370	0.000	1	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	128.9963	0.351	3	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.4980	0.465	2	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.6235	0.195	8	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.4717	0.482	6	129.1072	0.712	117	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CHHN){2|H<1>,4|C<3>}	129.8292	0.364	6	129.8292	0.133	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN){2|H<1>,4|C<3>}	128.4240	1.234	4	128.8383	1.380	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CIrNN){2|H<1>,4|C<3>}	129.6670	0.522	2	128.8383	1.380	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CN[5a]HH){2|H<1>,4|C<3>}	129.6065	0.309	4	129.6065	0.096	4	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	128.9110	0.000	1	128.9110	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.7300	0.000	1	128.7300	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.9480	0.000	1	128.9480	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	128.0520	0.000	1	128.0520	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCCH){2|H<1>,4|C<3>}	129.9330	0.310	6	129.9330	0.096	6	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.0000	0.000	1	128.3850	0.296	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.7700	0.000	1	128.3850	0.296	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	127.6080	0.016	2	128.8131	3.197	8	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.5418	1.956	5	128.8131	3.197	8	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	127.5800	0.000	1	128.8131	3.197	8	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	129.3340	0.000	1	129.3340	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(CCHH){1|H<1>,4|C<3>}	128.1580	0.000	1	128.1580	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.2235	0.015	2	129.2235	0.000	2	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){2|H<1>,4|C<3>}	129.8710	0.000	1	129.8710	0.000	1	129.1018	0.698	733	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<12>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr){2|C<4>,4|C<3>,4|H<1>}	130.9575	0.491	2	130.8787	0.198	6	130.8110	0.182	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Zr){2|C<4>,4|C<3>,4|H<1>}	130.8392	0.493	4	130.8787	0.198	6	130.8110	0.182	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]N[5]H){2|H<1>,4|C<4>,5|C<3>}	130.6080	0.413	2	130.6080	0.171	2	130.8110	0.182	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]C){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	130.4300	1.327	2	130.4300	1.760	2	129.6026	0.997	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	128.8590	0.000	1	128.3555	0.507	2	129.6026	0.997	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6]C[6]O[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	127.8520	0.000	1	128.3555	0.507	2	129.6026	0.997	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(C[6]C[6]O[6]H){1|N<2>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	129.9300	0.023	2	129.9300	0.001	2	129.6026	0.997	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H){4|H<1>,7|C<3>}	129.6950	0.042	2	129.6950	0.002	2	129.6026	0.997	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2O){2|H<1>,4|C<3>}	130.2200	0.563	2	130.2200	0.317	2	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2S){2|H<1>,4|C<3>}	130.6620	1.768	2	130.6620	3.125	2	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2Se)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]2Se){2|H<1>,4|C<3>}	130.6365	1.484	2	130.6365	2.203	2	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]O){2|H<1>,4|C<3>}	129.7876	0.832	8	129.7876	0.693	8	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]S){2|H<1>,4|C<3>}	130.3790	0.986	4	130.3790	0.972	4	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PC[6a]N[5a]Se){2|H<1>,4|C<3>}	130.4998	0.980	4	130.4998	0.959	4	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(PN[5a]2O){2|H<1>,4|C<3>}	129.4708	0.785	6	129.4708	0.616	6	130.0599	0.913	28	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.3260	0.000	1	129.3260	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	129.1530	0.000	1	129.1530	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	127.9470	0.000	1	127.9470	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.9810	0.000	1	129.2540	0.052	6	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<2>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.1970	0.000	1	129.2540	0.052	6	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.3365	0.227	4	129.2540	0.052	6	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	128.7620	0.000	1	128.7620	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	127.3890	1.341	3	127.3890	1.798	3	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	129.7700	0.000	1	129.8193	0.064	4	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SC[6a]OO){1|H<1>,4|C<3>}	129.8357	0.307	3	129.8193	0.064	4	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	129.9610	0.000	1	129.7200	0.116	2	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){2|H<1>,4|C<3>}	129.4790	0.000	1	129.7200	0.116	2	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.7320	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.3660	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.7790	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	128.7090	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	130.4905	0.015	2	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	128.5910	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.8558	0.498	29	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.9480	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	130.4220	0.000	1	129.7722	0.353	38	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])(SCOO){1|H<1>,4|C<3>}	129.4370	0.000	1	129.4370	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.9180	0.441	2	128.9180	0.195	2	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H){1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	131.3640	0.000	1	131.3640	0.000	1	129.5341	0.694	61	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	130.6800	0.086	2	129.9300	0.528	6	129.6738	0.603	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	129.5550	0.561	4	129.9300	0.528	6	129.6738	0.603	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SiC[6a]3){2|H<1>,4|C<3>}	128.9050	0.076	2	128.9050	0.006	2	129.6738	0.603	8	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[3]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[3]C[3]2H){2|C<3>,6|H<1>}	132.1090	0.000	1	132.1090	0.000	1	132.1090	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	130.0370	0.000	1	130.0370	0.000	1	131.9470	3.119	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	133.5210	0.000	1	133.5210	0.000	1	131.9470	3.119	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]S[5]2H){1|H<1>,2|C<3>,2|C<4>}	132.2830	0.000	1	132.2830	0.000	1	131.9470	3.119	3	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>}	129.8040	0.000	1	129.8040	0.000	1	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	130.0700	0.000	1	130.0700	0.000	1	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	129.8025	0.344	2	129.8025	0.119	2	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Si)(C[6]C[6]2Cr){2|C<3>,3|C<4>,3|H<1>}	131.6110	0.000	1	131.6110	0.000	1	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	133.5915	1.568	2	133.5915	2.458	2	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	132.0440	0.000	1	132.0440	0.000	1	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	132.4930	0.075	3	132.7115	0.195	4	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,6|H<1>}	133.3670	0.000	1	132.7115	0.195	4	131.7636	2.540	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P[6]-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(P[6]N[6]2O){1|H<1>,2|C<3>,2|P<4>}	131.4565	0.685	4	131.4565	0.469	4	131.4565	0.469	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	131.0300	0.047	2	131.0300	0.002	2	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC){2|H<1>,4|C<3>}	130.5913	0.270	4	130.5913	0.073	4	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	130.4620	0.000	1	129.7977	1.356	3	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<4>,1|H<1>,2|C<3>}	130.4780	0.000	1	129.7977	1.356	3	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<5>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SiC3){1|C<5>,1|H<1>,2|C<3>}	128.4530	0.000	1	129.7977	1.356	3	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiC3){1|H<1>,2|C<3>}	133.3650	0.000	1	133.3650	0.000	1	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(SiN[5a]CC){1|H<1>,2|C<3>}	133.6570	0.567	2	133.6570	0.322	2	131.2081	2.496	12	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	126.8165	0.422	4	126.8165	0.178	4	126.8165	0.178	4	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	128.0050	0.000	1	128.0050	0.000	1	127.8608	0.044	9	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Mo)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.9490	0.147	2	127.9490	0.022	2	127.8608	0.044	9	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Ru)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.8073	0.236	6	127.8073	0.056	6	127.8608	0.044	9	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(O){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	126.2830	0.124	2	126.2830	0.015	2	126.2830	0.015	2	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]O)(CH3){1|H<1>,3|C<3>}	131.4250	0.000	1	131.4250	0.000	1	131.4250	0.000	1	130.1866	2.100	2718	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	134.9250	0.000	1	134.9250	0.000	1	133.5770	1.663	3	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	132.9030	0.775	2	132.9030	0.601	2	133.5770	1.663	3	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	130.4370	0.000	1	130.9425	0.511	2	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	131.4480	0.000	1	130.9425	0.511	2	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	133.4680	0.000	1	133.4680	0.000	1	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	134.5400	0.000	1	134.5400	0.000	1	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	134.9260	0.000	1	134.9260	0.000	1	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	133.1670	0.048	2	133.1670	0.002	2	133.0219	2.555	7	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	133.8240	0.000	1	133.8240	0.000	1	133.6898	0.141	5	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	133.3540	0.000	1	133.7350	0.290	2	133.6898	0.141	5	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	134.1160	0.000	1	133.7350	0.290	2	133.6898	0.141	5	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,3|C<3>,3|H<1>}	133.2420	0.000	1	133.5775	0.225	2	133.6898	0.141	5	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	133.9130	0.000	1	133.5775	0.225	2	133.6898	0.141	5	133.3555	1.479	15	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C-3:	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)(CCO){1|H<1>,7|C<3>}	133.3388	0.368	6	133.3388	0.136	6	133.3388	0.136	6	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[3,3,4,4]HH)(C[5a]N[5a]N){1|O<1>,2|N<3>}	132.2770	0.000	1	132.2770	0.000	1	132.2770	0.000	1	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[3x6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(C[5a]N[5a]H){2|C<3>,3|C<4>,7|H<1>}	133.8090	0.000	1	133.8090	0.000	1	133.8090	0.000	1	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	131.4240	0.000	1	131.4240	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]C[5a]H){2|C<4>,2|H<1>,5|C<3>}	130.4170	0.000	1	130.4170	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a]H){2|H<1>,7|C<3>}	129.6440	0.000	1	129.6440	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]N[5])(C[5a]C[5a]H){1|C<4>,2|H<1>,7|C<3>}	133.5710	0.000	1	133.5710	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Zr<12>,1|C<3>,2|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2Zr)(C[5a]C[5a]C){2|C<3>,3|C<4>,3|H<1>}	130.6500	0.000	1	130.6500	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]C){3|C<3>,3|C<4>,3|H<1>}	132.6720	0.000	1	132.6720	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]C[5a]H){1|S<4>,4|C<3>,4|H<1>}	130.7610	0.000	1	130.7610	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|C<4>,3|H<1>}	130.5690	0.000	1	130.5690	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	133.0910	0.000	1	133.0910	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]Cl){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	132.6470	0.000	1	132.6470	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	132.6540	0.000	1	132.6540	0.000	1	131.6455	1.737	11	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	130.1900	0.000	1	130.1900	0.000	1	130.4147	0.064	4	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	130.5025	0.350	2	130.5025	0.123	2	130.4147	0.064	4	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O[6]H)(C[5a]C[5a]H){1|Mo<10>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	130.4640	0.000	1	130.4640	0.000	1	130.4147	0.064	4	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]2N[5a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	133.5455	0.832	2	133.5455	0.693	2	133.3168	0.226	5	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(SiC[6a]N[5a]2)(C[5a]O[5a]O){1|H<1>,2|C<3>}	133.1643	0.134	3	133.1643	0.018	3	133.3168	0.226	5	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]C[5])(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	131.5530	0.000	1	131.5530	0.000	1	131.5530	0.000	1	132.2074	1.868	29	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.3540	0.260	2	131.3540	0.068	2	131.3693	0.035	3	131.3693	0.035	3	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru2)(CH3){1|C<4>,1|H<1>,2|C<3>}	131.4000	0.000	1	131.4000	0.000	1	131.3693	0.035	3	131.3693	0.035	3	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:5:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-5:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co2H)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.3755	0.630	2	131.3755	0.397	2	131.3755	0.397	2	131.3755	0.397	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5,6]C[5,5,6]C[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]Pd){2|C<3>,3|C<4>,4|H<1>}	130.7010	0.000	1	130.7010	0.000	1	130.7010	0.000	1	130.7010	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	5:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	Si[5,6]-5:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,8|C<3>}	132.8815	0.149	2	132.8815	0.022	2	132.8815	0.022	2	132.8815	0.022	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	6:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	132.7570	0.000	1	132.7570	0.000	1	132.7570	0.000	1	131.1333	1.753	8	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])2{1|C<6>,4|B<6>,4|C<3>,7|H<1>}	130.6335	1.431	4	130.6335	2.047	4	130.6335	2.047	4	131.1333	1.753	8	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<6>,2|C<3>,4|B<6>,7|H<1>}	130.6275	0.235	2	130.6275	0.055	2	131.2583	1.222	3	131.1333	1.753	8	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	6:3:3:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<2>,2|C<3>}	N[5a](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<6>,2|C<3>,4|B<6>,6|H<1>}	132.5200	0.000	1	132.5200	0.000	1	131.2583	1.222	3	131.1333	1.753	8	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	133.6080	0.000	1	133.6080	0.000	1	133.6080	0.000	1	131.7525	6.886	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	129.8970	0.000	1	129.8970	0.000	1	129.8970	0.000	1	131.7525	6.886	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	131.4060	0.000	1	131.4060	0.000	1	131.4060	0.000	1	131.4060	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,1|H<1>,4|C<3>}	128.1960	0.631	2	128.1960	0.398	2	128.1960	0.398	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	128.8780	0.000	1	128.8780	0.000	1	128.8780	0.000	1	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	130.6625	0.269	2	130.6625	0.073	2	130.6625	0.073	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[5a]N[6a])(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,2|C<3>}	130.6850	0.000	1	130.6850	0.000	1	130.6850	0.000	1	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(N[6a]C[6a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	129.7630	0.000	1	129.7630	0.000	1	129.9875	0.101	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	130.2120	0.000	1	130.2120	0.000	1	129.9875	0.101	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|S<2>,2|N<2>}	133.5220	0.000	1	133.5220	0.000	1	133.5220	0.000	1	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(OS){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	130.6480	0.000	1	130.6480	0.000	1	130.1365	0.523	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	129.6250	0.000	1	129.6250	0.000	1	130.1365	0.523	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	128.9250	0.000	1	129.5190	0.706	2	129.5190	0.706	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	130.1130	0.000	1	129.5190	0.706	2	129.5190	0.706	2	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|N<3>,4|C<3>}	129.0751	0.946	20	129.0751	0.894	20	129.1958	1.062	26	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,5|C<3>}	128.7935	0.265	4	129.5985	1.658	6	129.1958	1.062	26	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<2>,4|C<3>}	131.2085	0.551	2	129.5985	1.658	6	129.1958	1.062	26	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	128.3510	0.000	1	128.3510	0.000	1	128.3510	0.000	1	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OC){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	128.9560	0.000	1	128.9560	0.000	1	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	129.0100	0.000	1	128.3574	0.378	8	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	128.7063	0.248	4	128.3574	0.378	8	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	127.6747	0.277	3	128.3574	0.378	8	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|O<2>,4|C<3>}	128.4980	0.000	1	128.4980	0.000	1	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	127.2600	0.000	1	127.2600	0.000	1	128.3248	0.422	11	129.1981	1.444	51	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	132.6630	0.184	2	132.6630	0.034	2	132.6630	0.034	2	131.0036	3.171	5	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|H<1>,1|O<2>,4|C<3>}	128.5170	0.000	1	128.5170	0.000	1	128.5170	0.000	1	131.0036	3.171	5	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(OC){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	131.1420	0.000	1	131.1420	0.000	1	131.1420	0.000	1	131.0036	3.171	5	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,1|S<2>,6|C<3>}	130.0330	0.000	1	130.0330	0.000	1	130.0330	0.000	1	131.0036	3.171	5	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a,6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(OC){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	129.7490	0.000	1	129.7490	0.000	1	129.7490	0.000	1	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|C<2>,1|H<1>,2|C<3>}	130.8403	0.387	3	130.8403	0.150	3	130.8403	0.150	3	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|F<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<2>,1|H<1>,2|C<3>}	132.9300	0.000	1	132.9300	0.000	1	132.9300	0.000	1	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	131.0680	0.173	2	131.0680	0.030	2	130.7713	1.569	4	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|O<2>,3|C<3>}	129.0040	0.000	1	129.0040	0.000	1	130.7713	1.569	4	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|O<2>,2|C<3>}	131.9450	0.000	1	131.9450	0.000	1	130.7713	1.569	4	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<2>,1|H<1>,4|C<3>}	130.5020	0.000	1	130.5020	0.000	1	131.0213	0.469	4	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<2>,1|H<1>,4|C<3>}	131.1943	0.724	3	131.1943	0.524	3	131.0213	0.469	4	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){1|C<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	130.1400	0.000	1	129.4210	1.034	2	129.4210	1.034	2	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]O){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(OH){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,4|C<3>}	128.7020	0.000	1	129.4210	1.034	2	129.4210	1.034	2	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]Si)(OH){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	128.5990	0.000	1	128.5990	0.000	1	128.5990	0.000	1	130.6132	1.426	16	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	131.1500	0.031	2	131.1500	0.001	2	131.1500	0.001	2	131.9059	10.778	7	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){3|C<3>}	125.1670	0.000	1	125.1670	0.000	1	125.1670	0.000	1	131.9059	10.778	7	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	134.0345	0.036	2	134.0345	0.001	2	134.0345	0.001	2	131.9059	10.778	7	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:O-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	133.9025	1.036	2	133.9025	1.073	2	133.9025	1.073	2	131.9059	10.778	7	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[5a]C[5a]S[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>,3|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	132.6850	0.117	2	132.6850	0.014	2	132.6850	0.014	2	132.6915	0.663	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<2>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,2|C<4>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	134.0400	0.000	1	134.0400	0.000	1	132.7650	3.251	2	132.6915	0.663	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	131.4900	0.000	1	131.4900	0.000	1	132.7650	3.251	2	132.6915	0.663	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	132.6245	0.176	2	132.6245	0.031	2	132.6245	0.031	2	132.6915	0.663	6	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	129.3707	0.270	6	129.3707	0.073	6	129.0212	0.550	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	128.4970	0.959	4	128.4970	0.919	4	129.0212	0.550	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.3295	1.167	2	128.3295	1.363	2	128.3295	1.363	2	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.1450	0.000	1	128.1450	0.000	1	128.3067	0.091	3	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,5|C<3>}	128.3875	0.378	2	128.3875	0.143	2	128.3067	0.091	3	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.3180	0.000	1	129.3180	0.000	1	129.3180	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.4930	0.000	1	128.4930	0.000	1	129.7488	0.625	5	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<2>,5|C<3>}	130.0627	0.420	4	130.0627	0.176	4	129.7488	0.625	5	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	130.4940	0.000	1	130.4940	0.000	1	130.4940	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	125.4950	0.000	1	125.4950	0.000	1	125.4950	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]N[6])(N[5a]C[5a,6a]H){2|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<4>,4|C<3>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	130.2760	0.000	1	130.2760	0.000	1	130.2760	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.5750	0.000	1	130.5750	0.000	1	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	130.0903	0.300	3	130.0903	0.090	3	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|S<2>,3|C<3>}	130.4530	0.000	1	130.4530	0.000	1	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	127.7540	0.000	1	127.8847	0.018	3	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	127.9500	0.103	2	127.8847	0.018	3	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.7890	0.332	2	131.7890	0.110	2	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.0835	0.104	2	131.4172	0.180	4	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.9540	0.000	1	131.4172	0.180	4	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.5480	0.000	1	131.4172	0.180	4	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(H){3|C<3>}	132.8355	0.224	2	132.8355	0.050	2	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)(H){3|C<3>}	127.6110	0.000	1	127.6110	0.000	1	130.4401	2.989	17	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]N[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	128.5330	0.000	1	128.5330	0.000	1	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	130.7040	0.000	1	130.7040	0.000	1	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	129.9115	0.349	2	129.9115	0.122	2	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	130.1220	0.000	1	130.1220	0.000	1	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	129.0320	0.000	1	129.2930	0.136	2	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	129.5540	0.000	1	129.2930	0.136	2	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	132.1530	0.505	3	132.1530	0.255	3	130.4227	1.841	10	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|N<3>,2|C<3>}	130.1188	0.716	6	129.8011	0.497	14	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	129.5627	0.637	8	129.8011	0.497	14	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.1489	1.392	10	130.1489	1.939	10	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	130.0634	0.627	8	130.0634	0.393	8	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	130.3915	0.172	2	130.3915	0.030	2	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	132.1310	0.000	1	132.1310	0.000	1	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,1|S<2>,4|C<3>}	133.0690	0.000	1	133.0690	0.000	1	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	137.2700	0.000	1	137.2700	0.000	1	130.3369	2.512	37	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P[5]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]P[5])(N[5a]C[5a,6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(P[5]O[5]2){1|H<1>,3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|P<3>,4|C<3>}	129.0205	0.076	2	129.0205	0.006	2	129.0205	0.006	2	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5a])(N[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	130.6712	0.161	4	130.6712	0.026	4	130.6712	0.026	4	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	129.3520	0.173	2	129.3520	0.030	2	129.3520	0.030	2	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	127.8510	0.000	1	127.8510	0.000	1	129.2869	0.933	7	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	130.1955	0.322	2	130.1955	0.104	2	129.2869	0.933	7	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	128.5545	0.245	2	128.5545	0.060	2	129.2869	0.933	7	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	130.0030	0.000	1	130.0030	0.000	1	129.2869	0.933	7	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	129.6540	0.000	1	129.6540	0.000	1	129.2869	0.933	7	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	129.3905	0.713	2	129.3905	0.509	2	129.3905	0.509	2	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<3>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	126.5050	0.000	1	126.5050	0.000	1	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	126.4030	0.000	1	126.4030	0.000	1	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	129.6580	0.000	1	129.6580	0.000	1	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	126.0240	0.000	1	128.5002	2.862	4	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	129.5870	0.024	2	128.5002	2.862	4	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.8030	0.000	1	128.5002	2.862	4	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<2>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	128.0096	0.680	5	127.5998	0.577	9	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,5|C<3>}	127.0875	0.541	4	127.5998	0.577	9	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){6|C<3>}	129.6730	1.334	2	129.6730	1.778	2	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	130.2445	0.353	2	130.2445	0.125	2	128.2400	2.085	20	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	128.8937	1.088	3	128.8361	0.381	9	129.4972	2.497	11	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<3>,4|C<3>}	128.8073	0.364	6	128.8361	0.381	9	129.4972	2.497	11	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|H<1>,1|N<3>,4|C<3>}	132.4720	0.542	2	132.4720	0.293	2	129.4972	2.497	11	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO)	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H){1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	131.4160	0.000	1	131.4160	0.000	1	131.4160	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H){1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	131.4730	0.000	1	131.4730	0.000	1	131.4730	0.000	1	129.6866	2.563	139	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,3|C<3>}	133.6720	0.000	1	133.6720	0.000	1	133.6720	0.000	1	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	129.4520	0.000	1	129.7572	0.182	11	129.7572	0.182	11	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	129.3210	0.000	1	129.7572	0.182	11	129.7572	0.182	11	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	129.8396	0.429	9	129.7572	0.182	11	129.7572	0.182	11	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,1|N<3>,2|C<3>}	133.3005	0.302	2	133.3005	0.091	2	133.3005	0.091	2	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2){1|H<1>,1|P<3>,2|C<3>}	130.5490	0.290	2	130.5490	0.084	2	130.5490	0.084	2	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[5a])(N[5a]C[5a]C[6a]){2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	133.4140	0.000	1	133.4140	0.000	1	133.4140	0.000	1	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	130.2195	0.290	4	130.2034	0.064	5	129.8700	0.394	7	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	130.1390	0.000	1	130.2034	0.064	5	129.8700	0.394	7	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	129.3220	0.000	1	129.3220	0.000	1	129.8700	0.394	7	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]N){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]N[6a]2){1|H<1>,7|C<3>}	128.7510	0.000	1	128.7510	0.000	1	129.8700	0.394	7	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:Ga-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Ga)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ga<3>,3|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(GaCl2){6|C<3>}	127.6510	0.591	2	127.6510	0.349	2	127.6510	0.349	2	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(N[5a]C[5a,6a]2){1|H<1>,9|C<3>}	131.7390	0.000	1	131.7390	0.000	1	131.7390	0.000	1	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	133.0720	0.000	1	133.0720	0.000	1	133.0720	0.000	1	130.4042	2.664	28	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]O)(CCHH){4|C<3>}	138.1040	0.000	1	138.1040	0.000	1	138.1040	0.000	1	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	129.8890	0.000	1	129.8890	0.000	1	129.8890	0.000	1	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|H<1>,5|C<3>}	129.6940	0.000	1	129.6940	0.000	1	130.4530	1.152	2	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a,6a]C){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|I<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	131.2120	0.000	1	131.2120	0.000	1	130.4530	1.152	2	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[5a])(N[5a]C[5a,6a]C){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,1|N<2>,4|C<3>}	132.5985	0.766	2	132.5985	0.586	2	132.5985	0.586	2	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	131.0330	0.000	1	131.0330	0.000	1	133.7446	2.401	8	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|H<1>,3|C<3>}	134.3700	0.000	1	134.1320	1.401	7	133.7446	2.401	8	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){3|C<3>}	134.0923	1.291	6	134.1320	1.401	7	133.7446	2.401	8	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	130.1910	0.000	1	130.1910	0.000	1	131.8988	2.665	5	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|B<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	130.4400	0.000	1	130.4400	0.000	1	131.8988	2.665	5	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	134.1640	0.000	1	134.1640	0.000	1	131.8988	2.665	5	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]HH){1|C<4>,3|C<3>}	132.5490	0.000	1	132.5490	0.000	1	131.8988	2.665	5	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,3|C<3>}	132.1500	0.000	1	132.1500	0.000	1	131.8988	2.665	5	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	133.1720	0.000	1	132.6300	0.371	3	132.6300	0.371	3	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	132.3590	0.549	2	132.6300	0.371	3	132.6300	0.371	3	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:B-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]B){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(BC[6a]O){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|B<3>,1|H<1>,4|C<3>}	130.4600	0.000	1	130.4600	0.000	1	130.4600	0.000	1	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|H<1>,5|C<3>}	131.0710	0.000	1	131.0710	0.000	1	130.1927	2.233	4	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	130.0880	0.000	1	130.0880	0.000	1	130.1927	2.233	4	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	131.4820	0.000	1	131.4820	0.000	1	130.1927	2.233	4	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	128.1300	0.000	1	128.1300	0.000	1	130.1927	2.233	4	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	127.2680	0.000	1	127.2680	0.000	1	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	127.8787	0.507	4	127.8787	0.258	4	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){6|C<3>}	130.3775	0.093	2	130.3775	0.009	2	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	131.5810	0.000	1	131.5810	0.000	1	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	131.5505	0.663	4	131.5505	0.440	4	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|O<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	129.7410	0.000	1	129.6005	0.039	2	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|I<1>,2|O<2>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	129.4600	0.000	1	129.6005	0.039	2	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,5|C<3>}	128.6500	0.496	4	128.6500	0.246	4	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|H<1>,1|N<2>,4|C<3>}	132.0650	0.000	1	132.0650	0.000	1	129.6414	2.787	19	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	130.1060	0.000	1	130.1060	0.000	1	130.1060	0.000	1	131.1128	5.686	48	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	138.5170	0.000	1	138.5170	0.000	1	138.5170	0.000	1	138.5170	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	128.9400	0.000	1	129.6555	1.024	2	129.6555	1.024	2	129.6555	1.024	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:2:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	130.3710	0.000	1	129.6555	1.024	2	129.6555	1.024	2	129.6555	1.024	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){5|C<3>}	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	125.0730	0.000	1	125.0730	0.000	1	125.0730	0.000	1	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	127.9140	0.000	1	127.9140	0.000	1	127.9140	0.000	1	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	125.8620	0.000	1	125.8620	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	128.8760	0.000	1	128.8760	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	128.8790	0.000	1	128.7378	0.468	4	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	129.0570	0.000	1	128.7378	0.468	4	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	129.2740	0.000	1	128.7378	0.468	4	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	127.7410	0.000	1	128.7378	0.468	4	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	129.0393	1.149	3	129.0393	1.319	3	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(H){1|C<4>,3|C<3>}	127.7110	0.000	1	127.7110	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){3|C<3>,4|C<4>}	129.8570	0.670	2	129.8570	0.449	2	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[5a]CO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6,6]C[5a])(H){3|C<3>,4|C<4>}	130.1910	0.000	1	130.1910	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC[6a]CH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.3910	0.000	1	129.3910	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<4>,2|C<3>}	132.2010	0.000	1	132.2010	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	132.6360	0.000	1	132.6360	0.000	1	129.2907	2.763	16	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(H){1|S<4>,3|C<3>}	129.9860	0.000	1	129.9860	0.000	1	129.9860	0.000	1	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	128.5240	0.000	1	128.5240	0.000	1	128.5240	0.000	1	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|N<2>,2|C<4>,3|C<3>}	128.9795	0.124	2	129.0423	0.020	3	129.0423	0.020	3	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){2|C<4>,4|C<3>}	129.1680	0.000	1	129.0423	0.020	3	129.0423	0.020	3	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	130.2960	0.000	1	129.7063	0.306	3	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	129.1980	0.000	1	129.7063	0.306	3	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(H){1|N<3>,2|C<3>,4|C<4>}	129.6250	0.000	1	129.7063	0.306	3	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<3>,3|C<4>}	128.8085	0.093	4	128.8827	0.046	6	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	129.2940	0.000	1	128.8827	0.046	6	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	128.7680	0.000	1	128.8827	0.046	6	129.1572	0.275	9	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	128.2380	0.000	1	128.2380	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	127.7455	0.398	4	127.7455	0.158	4	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,5|C<3>}	130.4290	0.539	2	130.4290	0.290	2	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCFF){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	130.2960	0.000	1	130.2960	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	127.8830	0.000	1	127.8830	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,1|O<2>,4|C<3>}	128.8750	0.000	1	128.8750	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	127.4190	0.000	1	128.5180	0.450	5	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	128.7928	0.311	4	128.5180	0.450	5	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHP){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<4>,4|C<3>}	129.4710	0.000	1	129.4710	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,4|C<3>}	128.1380	0.000	1	128.1380	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|O<2>,4|C<3>}	126.9420	0.000	1	126.9420	0.000	1	128.5707	1.148	18	128.8793	1.738	50	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:B-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]B){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	129.7280	0.000	1	129.7280	0.000	1	129.7280	0.000	1	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(COO){1|C<4>,1|H<1>,2|C<3>}	133.8250	0.000	1	133.8250	0.000	1	131.2970	4.796	3	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN){1|C<4>,5|C<3>}	130.0330	0.072	2	130.0330	0.005	2	131.2970	4.796	3	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|C<4>,1|P<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	132.3000	0.000	1	132.3000	0.000	1	132.3000	0.000	1	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[5a,6a]C){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CH3){2|B<3>,2|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Br)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	128.4835	0.862	2	128.4835	0.743	2	128.4835	0.743	2	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	130.0029	0.618	8	130.0029	0.382	8	130.0029	0.382	8	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]C[6]){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	132.6090	0.000	2	132.6090	0.000	2	132.6090	0.000	2	130.4781	2.359	17	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]C)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC3){1|C<4>,2|C<3>}	134.9640	0.000	1	134.9640	0.000	1	134.9640	0.000	1	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	129.3660	0.106	2	129.3660	0.011	2	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CH3){2|C<3>,2|C<4>}	130.5925	0.254	2	130.5925	0.064	2	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|H<1>,2|C<3>}	130.7405	0.074	2	130.3786	0.113	7	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,1|N<2>,2|C<3>}	130.3070	0.257	4	130.3786	0.113	7	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(CH3){1|C<4>,3|C<3>}	129.9410	0.000	1	130.3786	0.113	7	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){1|C<4>,2|C<3>}	133.5130	0.000	1	133.5130	0.000	1	130.5067	1.138	12	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|C<4>,1|H<1>,2|C<3>}	133.1970	0.000	1	133.1970	0.000	1	133.1970	0.000	1	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ni)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Ni){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Ni){1|C<4>,1|P<4>,2|C<3>}	128.8140	0.000	1	128.8140	0.000	1	129.8360	2.089	2	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PC[6a]2Pd){1|H<1>,1|P<4>,2|C<3>}	130.8580	0.000	1	130.8580	0.000	1	129.8360	2.089	2	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]N)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	129.6390	0.331	2	129.6390	0.110	2	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	129.6790	0.000	1	129.6790	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCHH){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	129.1190	0.000	1	129.1190	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CH3){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	128.6060	0.000	2	128.6060	0.000	2	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCHH){1|C<2>,1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.0770	0.000	1	128.0770	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	130.0620	0.000	1	130.0620	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	129.7265	1.060	2	129.7265	1.124	2	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	129.7730	0.000	1	129.7730	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,4|C<3>}	128.8430	0.000	1	128.8430	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	129.5887	0.411	3	129.8070	0.303	4	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	130.4620	0.000	1	129.8070	0.303	4	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(CCHH){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){1|C<4>,1|H<1>,4|C<3>}	128.0890	0.000	1	128.0890	0.000	1	129.3419	0.553	17	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	124.8665	0.105	2	124.8665	0.011	2	126.0098	5.776	5	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3){1|Se<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	123.5180	0.000	1	123.5180	0.000	1	126.0098	5.776	5	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|C<4>,1|O<2>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	129.5930	0.000	1	128.3990	2.851	2	126.0098	5.776	5	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|B<3>,1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	127.2050	0.000	1	128.3990	2.851	2	126.0098	5.776	5	129.5467	4.425	38	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:4:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(C[5a]N[5a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	132.9660	0.000	1	132.9660	0.000	1	132.9660	0.000	1	132.9660	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:4:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(N[6a]C[6a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	131.8110	0.000	1	131.8110	0.000	1	131.8110	0.000	1	130.9785	1.386	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:4:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	130.1460	0.000	1	130.1460	0.000	1	130.1460	0.000	1	130.9785	1.386	2	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:4:2:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]C[5])(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	131.6410	0.000	1	131.6410	0.000	1	131.6410	0.000	1	131.6410	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[3,5]C[5]C)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	129.3740	0.000	1	129.3740	0.000	1	129.3740	0.000	1	129.3740	0.000	1	130.3610	2.470	7877	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:2:	3:3:2:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5,5a]-3:C[5a]-3:N[5]-2:	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5])	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5a]C[6a]N[5a])(N[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	126.8990	0.000	1	126.8990	0.000	1	126.8990	0.000	1	126.8990	0.000	1	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:2:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5a]S[5])(C[5a]C[6a]N[5a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	126.9900	0.000	1	126.9900	0.000	1	126.9900	0.000	1	127.2065	0.094	2	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:2:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	127.4230	0.000	1	127.4230	0.000	1	127.4230	0.000	1	127.2065	0.094	2	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:2:	3:3:3:	3:4:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,7|C<3>}	C[6a](C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	128.2640	0.000	1	128.2640	0.000	1	128.2640	0.000	1	124.5320	27.856	2	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:2:	3:3:3:	3:4:3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5,5a]N[5a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,8|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	124.5320	27.856	2	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	123.8693	2.226	6	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	125.8650	0.000	1	125.8650	0.000	1	124.1910	5.605	2	123.8693	2.226	6	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]N[5,6]S[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6]N){2|C<4>,3|C<3>}	122.5170	0.000	1	122.5170	0.000	1	124.1910	5.605	2	123.8693	2.226	6	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	125.0680	0.000	1	125.0680	0.000	1	124.2950	0.545	3	123.8693	2.226	6	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	123.9085	0.439	2	123.9085	0.193	2	124.2950	0.545	3	123.8693	2.226	6	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	121.1630	0.000	1	120.5435	0.768	2	120.8057	0.590	3	120.4038	1.039	4	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]S)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){1|S<4>,3|C<3>,4|H<1>}	119.9240	0.000	1	120.5435	0.768	2	120.8057	0.590	3	120.4038	1.039	4	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){2|H<1>,3|C<3>}	121.3300	0.000	1	121.3300	0.000	1	120.8057	0.590	3	120.4038	1.039	4	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:4:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH)	C[5a](N[5,5a]N[5,5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.1980	0.000	1	119.1980	0.000	1	119.1980	0.000	1	120.4038	1.039	4	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,5])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,5]C[5,6a]N[5]2)(C[5a]C[5a]C[6a]){7|C<3>}	122.9800	0.000	1	122.9800	0.000	1	122.9800	0.000	1	122.6024	1.458	7	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	122.3555	0.258	2	122.3555	0.067	2	122.5395	1.717	6	122.6024	1.458	7	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	122.6315	1.675	4	122.6315	2.805	4	122.5395	1.717	6	122.6024	1.458	7	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	4:3:3:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5,5a]C[5,5a]C[5,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	123.2748	6.287	23	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:2:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a])	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	125.8230	0.000	1	125.8230	0.000	1	125.8230	0.000	1	125.8230	0.000	1	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	124.2360	1.759	2	124.2360	3.095	2	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	123.8680	0.000	1	124.7005	1.386	2	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	125.5330	0.000	1	124.7005	1.386	2	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]C){2|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	123.6720	0.000	1	123.6720	0.000	1	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<3>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	127.0360	0.000	1	126.1641	0.412	8	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	126.3280	0.000	1	126.1641	0.412	8	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	125.9210	0.000	1	126.1641	0.412	8	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,2|O<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	126.0056	0.691	5	126.1641	0.412	8	125.4506	1.556	13	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	128.1490	0.000	1	126.2843	2.625	3	126.2843	2.625	3	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:2:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	125.3520	0.184	2	126.2843	2.625	3	126.2843	2.625	3	125.6069	1.708	16	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	124.8060	0.000	1	124.8060	0.000	1	125.7934	3.207	5	125.7934	3.207	5	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:3:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	126.0403	1.967	4	126.0403	3.870	4	125.7934	3.207	5	125.7934	3.207	5	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	119.2580	0.000	1	119.2580	0.000	1	121.7383	5.241	3	122.3255	4.873	4	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	122.1870	0.000	1	122.1870	0.000	1	121.7383	5.241	3	122.3255	4.873	4	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	123.7700	0.000	1	123.7700	0.000	1	121.7383	5.241	3	122.3255	4.873	4	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	124.0870	0.000	1	124.0870	0.000	1	124.0870	0.000	1	122.3255	4.873	4	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	124.1530	0.000	1	125.1260	1.893	2	125.1260	1.893	2	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2){2|O<2>,4|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5,5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5,5a]O[5a])(C[5a]C[5,5a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	126.0990	0.000	1	125.1260	1.893	2	125.1260	1.893	2	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	121.4615	0.785	6	121.4615	0.616	6	121.4615	0.616	6	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	125.9000	0.000	1	125.9000	0.000	1	123.7533	4.488	3	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|I<1>,4|C<3>}	123.6960	0.000	1	123.6960	0.000	1	123.7533	4.488	3	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	121.6640	0.000	1	121.6640	0.000	1	123.7533	4.488	3	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a,5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(C[5a]C[5a]C){2|C<3>,2|H<1>,2|O<1>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:B[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]B[5a])(C[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,2|B<3>,2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a,6a]B[5a])(B[5a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){8|C<3>}	118.4250	0.000	1	118.4250	0.000	1	118.4250	0.000	1	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	127.5690	0.000	1	127.5690	0.000	1	126.5985	1.884	2	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,5a]	3:3:3:	3:3:3:	3:3:3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,5a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	125.6280	0.000	1	125.6280	0.000	1	126.5985	1.884	2	122.9694	6.266	15	124.3499	5.591	41	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:2:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	124.8230	0.000	1	124.8230	0.000	1	126.7932	1.286	12	126.7932	1.286	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	128.0495	0.701	2	126.9723	0.991	11	126.7932	1.286	12	126.7932	1.286	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	127.7290	0.000	1	126.9723	0.991	11	126.7932	1.286	12	126.7932	1.286	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){1|C<4>,3|C<3>}	126.8004	0.753	7	126.9723	0.991	11	126.7932	1.286	12	126.7932	1.286	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:2:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6])	C[5a](N[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(N[6]C[6]){4|C<3>}	125.2640	0.000	1	126.9723	0.991	11	126.7932	1.286	12	126.7932	1.286	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	125.4930	0.000	1	125.4930	0.000	1	125.4930	0.000	1	125.4930	0.000	1	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	125.6220	0.000	1	125.6220	0.000	1	125.6220	0.000	1	125.6220	0.000	1	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]N[5,6]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	130.5460	0.000	1	130.5460	0.000	1	128.6472	1.861	4	128.6472	1.861	4	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a,6]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a,6]C[5a,6]2)(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]N[5a,6]N[5a])2(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	128.0143	0.623	3	128.0143	0.388	3	128.6472	1.861	4	128.6472	1.861	4	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,2|N<3>,6|C<3>}	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	122.3310	0.000	1	122.3310	0.000	1	122.6100	0.156	2	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Pd)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]Pd)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	122.8890	0.000	1	122.8890	0.000	1	122.6100	0.156	2	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|S<2>,3|H<1>,6|C<3>}	125.0520	0.000	1	125.4515	0.319	2	126.8110	1.858	5	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	125.8510	0.000	1	125.4515	0.319	2	126.8110	1.858	5	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[3,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	128.3060	0.000	1	128.3060	0.000	1	126.8110	1.858	5	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	127.4230	0.658	2	127.4230	0.432	2	126.8110	1.858	5	125.2304	5.843	8	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|F<1>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	125.0024	0.527	7	125.0024	0.278	7	125.0024	0.278	7	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	122.5770	0.632	2	122.5770	0.400	2	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	122.0600	0.000	1	122.0600	0.000	1	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|C<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	126.7030	0.709	2	126.7030	0.502	2	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	126.8330	0.520	2	125.8928	0.648	16	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	125.9094	0.657	10	125.8928	0.648	16	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	125.3812	0.957	4	125.8928	0.648	16	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]C[6a]2){10|C<3>}	125.8865	0.689	2	125.8865	0.475	2	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){2|Cl<1>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]Cl2){6|C<3>}	127.3360	0.331	2	127.3360	0.110	2	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	125.8525	1.300	2	125.8525	1.691	2	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]N[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){2|N<2>,4|C<3>}	127.9400	0.000	1	127.9400	0.000	1	125.7498	2.173	28	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6,6a]B[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	125.9640	0.349	2	125.9640	0.122	2	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	124.3000	0.000	1	124.3000	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	123.1240	0.000	1	123.1240	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	125.0880	0.000	1	125.0880	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){6|C<3>}	121.9830	0.000	1	121.9830	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	125.4532	0.677	8	125.4532	0.459	8	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	127.1065	2.157	2	127.1065	4.654	2	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	126.2570	0.000	1	126.2570	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	124.7980	0.631	2	124.3280	0.716	4	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	123.2000	0.000	1	124.3280	0.716	4	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	124.5160	0.000	1	124.3280	0.716	4	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	123.9320	1.123	2	123.9320	1.261	2	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|H<1>,2|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	125.8585	0.046	2	126.5282	0.634	8	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	126.4350	1.304	2	126.5282	0.634	8	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	126.9098	0.643	4	126.5282	0.634	8	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	127.1390	0.000	1	127.1390	0.000	1	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	125.8745	0.476	2	126.5457	0.547	6	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]CC){1|H<1>,5|C<3>}	126.8812	0.622	4	126.5457	0.547	6	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	126.7315	0.891	10	126.7315	0.794	10	125.8677	1.879	48	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	122.5220	0.000	1	122.5220	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	124.3600	0.000	1	124.3600	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	123.9930	0.000	1	123.9930	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,4|C<3>}	121.9700	0.000	1	121.9700	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)(C[6a]C[6a]2){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	121.3863	0.412	3	121.3863	0.170	3	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	120.6520	0.447	2	120.6520	0.200	2	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|C<3>}	123.2500	0.000	1	123.2500	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	124.6283	0.715	3	124.6283	0.512	3	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	121.3180	0.000	1	121.3180	0.000	1	122.6258	2.570	14	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.4230	0.000	1	127.4230	0.000	1	127.4230	0.000	1	125.2524	3.406	100	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	123.8970	0.000	1	123.8970	0.000	1	123.4307	0.174	3	123.4307	0.174	3	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	123.1975	0.148	2	123.1975	0.022	2	123.4307	0.174	3	123.4307	0.174	3	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a](N[5a,6]B[5a,6]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	124.8863	1.295	12	124.8863	1.676	12	124.8863	1.676	12	124.8863	1.676	12	125.4002	3.565	142	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	124.6370	0.000	1	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.0782	0.870	4	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	126.0305	0.439	2	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	125.8150	0.000	1	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	127.1790	0.000	1	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	126.2590	0.000	1	126.0264	0.648	10	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	127.1210	0.000	1	127.0455	0.011	2	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	126.9700	0.000	1	127.0455	0.011	2	126.1963	0.688	12	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){3|N<2>,4|C<3>}	129.1670	1.471	2	129.1670	2.163	2	129.1670	2.163	2	126.6206	1.913	14	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	122.5200	0.000	1	122.5200	0.000	1	126.8835	5.129	6	126.8835	5.129	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	128.3215	0.016	2	128.2380	0.021	3	126.8835	5.129	6	126.8835	5.129	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	128.0710	0.000	1	128.2380	0.021	3	126.8835	5.129	6	126.8835	5.129	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	127.7460	0.000	1	127.0335	1.015	2	126.8835	5.129	6	126.8835	5.129	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	126.3210	0.000	1	127.0335	1.015	2	126.8835	5.129	6	126.8835	5.129	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])2(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	127.8453	3.428	3	127.8453	11.752	3	127.8453	11.752	3	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	126.0760	0.000	1	125.4973	1.715	3	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	125.2080	1.711	2	125.4973	1.715	3	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	127.8075	1.206	2	127.8075	1.454	2	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	127.0540	0.000	1	126.5330	0.543	2	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	126.0120	0.000	1	126.5330	0.543	2	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	125.6550	0.000	1	125.6550	0.000	1	126.3535	1.772	8	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	127.8960	0.000	1	127.8960	0.000	1	129.4540	2.535	3	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	130.2330	1.195	2	130.2330	1.428	2	129.4540	2.535	3	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	127.0870	0.000	1	127.0870	0.000	1	127.1610	0.011	2	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	127.2350	0.000	1	127.2350	0.000	1	127.1610	0.011	2	127.3155	4.200	16	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	124.2140	0.000	1	122.9880	3.006	2	122.9880	3.006	2	122.9880	3.006	2	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.7620	0.000	1	122.9880	3.006	2	122.9880	3.006	2	122.9880	3.006	2	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	126.3970	0.000	1	124.6570	6.055	2	125.4798	1.647	6	125.4798	1.647	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	122.9170	0.000	1	124.6570	6.055	2	125.4798	1.647	6	125.4798	1.647	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	125.8912	0.223	4	125.8912	0.050	4	125.4798	1.647	6	125.4798	1.647	6	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	127.2580	0.000	1	127.2580	0.000	1	127.2580	0.000	1	127.2580	0.000	1	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<3>,2|H<1>,7|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){2|N<3>,7|C<3>}	125.6215	0.937	2	125.6215	0.878	2	125.6215	0.878	2	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.0840	0.000	1	121.0840	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	123.0670	1.216	3	122.5897	1.070	6	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	122.9390	0.000	1	122.5897	1.070	6	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.6950	0.000	1	122.5897	1.070	6	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	121.7030	0.000	1	122.5897	1.070	6	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	124.5810	0.000	1	124.5810	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.4985	0.245	2	124.6795	1.378	8	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	124.4550	0.000	1	124.6795	1.378	8	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	125.7965	0.371	2	124.6795	1.378	8	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.4637	0.750	3	124.6795	1.378	8	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	123.7620	0.000	1	123.7620	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	124.6305	0.009	2	124.6305	0.000	2	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	121.4005	0.132	2	121.4005	0.017	2	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	121.7880	0.273	2	121.7937	0.736	7	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	121.7950	1.833	2	121.7937	0.736	7	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	121.7967	0.700	3	121.7937	0.736	7	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	122.9555	1.879	2	122.9555	3.530	2	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	122.0946	0.665	5	122.0946	0.443	5	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	124.7210	0.000	1	124.7210	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	123.0360	0.000	1	123.0360	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	125.4745	1.859	2	125.4745	3.456	2	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	127.9970	1.493	4	127.9970	2.228	4	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	123.3540	0.000	1	123.3540	0.000	1	123.5784	4.428	44	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	124.2780	0.000	1	125.2820	0.622	4	125.4633	0.452	6	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	125.0890	0.000	1	125.2820	0.622	4	125.4633	0.452	6	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	125.8805	0.325	2	125.2820	0.622	4	125.4633	0.452	6	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	125.8420	0.000	1	125.8420	0.000	1	125.4633	0.452	6	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	125.8100	0.000	1	125.8100	0.000	1	125.4633	0.452	6	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	123.4290	0.000	1	123.4290	0.000	1	123.4290	0.000	1	123.8556	4.064	55	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a]Cl)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,2|N<3>,7|C<3>}	126.8380	0.000	1	126.8380	0.000	1	125.1563	2.741	3	125.1563	2.741	3	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	4:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:C[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]B[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|B<4>,1|F<1>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6a]C[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](B[6a]N[5a,6a]C[6a]F)(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){1|Cl<1>,9|C<3>}	124.3155	1.114	2	124.3155	1.240	2	125.1563	2.741	3	125.1563	2.741	3	125.0940	5.679	103	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:2:2:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2)	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]N[6a]2){4|C<3>}	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,2|C<3>,2|N<2>}	124.5410	0.414	2	124.5410	0.172	2	124.5410	0.172	2	124.5410	0.172	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	121.8300	0.347	4	121.8300	0.120	4	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.9580	0.000	1	121.9057	2.062	7	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.9780	0.000	1	121.9057	2.062	7	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.2808	0.495	5	121.9057	2.062	7	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.9870	0.033	2	122.9870	0.001	2	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.5040	0.000	1	122.5040	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.1860	0.000	1	121.1860	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.1150	0.000	1	123.3180	1.150	8	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.5490	0.000	1	123.3180	1.150	8	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|I<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.3120	0.000	1	123.3180	1.150	8	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.9136	0.898	5	123.3180	1.150	8	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(H){5|C<3>}	125.8030	0.000	1	125.8030	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.4280	0.000	1	124.8424	0.378	5	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.1450	0.000	1	124.8424	0.378	5	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.8797	0.582	3	124.8424	0.378	5	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	125.3270	0.000	1	125.3270	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<3>,2|N<3>}	125.0690	0.000	1	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	125.2170	0.000	1	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.3645	0.623	2	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.3325	0.837	2	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.8600	0.000	1	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.6285	0.752	2	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.6579	0.689	9	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.7660	0.000	1	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.7937	0.545	11	124.6405	0.402	30	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	124.2750	0.000	1	124.4675	0.074	2	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(H){4|C<3>}	124.6600	0.000	1	124.4675	0.074	2	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	128.7865	0.576	2	128.7865	0.332	2	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.5445	0.589	2	121.5445	0.347	2	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.3130	0.000	1	123.3130	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.9320	0.000	1	123.1339	0.922	16	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){1|C<4>,4|C<3>}	123.2450	1.024	4	123.1339	0.922	16	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.0210	0.993	11	123.1339	0.922	16	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.2130	0.000	1	123.3931	0.540	22	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.2800	0.000	1	123.3931	0.540	22	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.4078	0.771	20	123.3931	0.540	22	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.1710	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.7200	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.3880	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.3870	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.6950	0.886	4	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.7280	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.6580	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.0400	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.4260	1.030	2	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|Br<1>,4|C<3>}	122.7900	0.000	1	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.7452	0.719	29	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.2930	0.939	2	122.7492	0.518	45	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	126.4300	0.000	2	125.6715	0.515	6	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.2922	0.533	4	125.6715	0.515	6	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.7670	0.000	1	123.7670	0.000	1	123.5072	1.920	157	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.2110	0.156	2	123.2110	0.024	2	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.5790	0.000	1	122.6985	0.029	2	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	122.8180	0.000	1	122.6985	0.029	2	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.3030	0.000	1	124.3030	0.000	1	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.5660	0.000	1	123.5660	0.000	1	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]N[6a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	125.7235	1.426	2	125.7235	2.034	2	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.2550	0.000	1	124.2550	0.000	1	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	124.5130	0.000	1	124.5130	0.000	1	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	125.3875	2.003	2	125.3875	4.013	2	124.2232	1.867	12	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6a]H)2(C[5a]N[5a]2){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.1090	0.000	1	121.1090	0.000	1	122.2570	2.636	2	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.4050	0.000	1	123.4050	0.000	1	122.2570	2.636	2	123.5428	1.952	171	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	125.6370	0.666	2	125.6370	0.444	2	125.6370	0.444	2	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	124.2070	1.963	2	124.2070	3.853	2	124.2070	3.853	2	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.2973	0.577	3	125.2973	0.333	3	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.5370	0.849	4	122.5370	0.721	4	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	127.6530	0.000	1	127.6530	0.000	1	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	126.9367	0.777	3	126.8123	0.464	4	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	126.4390	0.000	1	126.8123	0.464	4	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|P<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.2180	0.000	1	125.0120	1.699	48	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.0312	0.983	6	125.0120	1.699	48	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.0041	1.369	41	125.0120	1.699	48	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.8490	0.000	1	124.3500	1.108	31	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	123.1510	0.000	1	124.3500	1.108	31	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.3882	0.964	26	124.3500	1.108	31	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.9190	1.628	3	124.3500	1.108	31	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	124.0012	0.850	5	123.9408	0.600	6	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a]){2|H<1>,6|C<3>}	123.6390	0.000	1	123.9408	0.600	6	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.9850	0.000	1	125.2890	0.969	2	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.5930	0.000	1	125.2890	0.969	2	124.7534	1.836	99	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,7|C<3>}	125.1790	0.000	1	125.1790	0.000	1	125.1790	0.000	1	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,2|N<3>,6|C<3>}	121.6130	0.000	1	121.6130	0.000	1	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	124.8870	0.000	1	124.8870	0.000	1	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.1240	0.000	1	125.1240	0.000	1	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.8130	0.000	1	122.8130	0.000	1	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.9570	2.382	4	122.9570	5.672	4	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	126.5970	0.000	1	126.5970	0.000	1	123.6513	4.522	9	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|N<3>,6|C<3>}	C[6a](C[6a]C[6a]N[5a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.7670	0.035	2	122.7670	0.001	2	122.7670	0.001	2	124.6422	2.107	115	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	122.4525	1.083	2	122.4525	1.172	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	121.8200	0.966	2	121.2885	0.809	4	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	120.7570	0.604	2	121.2885	0.809	4	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	128.5830	0.000	1	128.5830	0.000	1	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	125.4285	2.994	4	125.4285	8.961	4	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	127.1200	1.406	2	124.9754	3.183	7	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	123.8280	1.478	2	124.9754	3.183	7	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	123.2430	0.000	1	124.9754	3.183	7	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	124.8445	0.262	2	124.9754	3.183	7	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	125.1000	1.426	3	125.1000	2.034	3	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.8250	0.000	1	124.4555	0.273	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.0860	0.000	1	124.4555	0.273	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	124.4683	0.753	3	124.4683	0.566	3	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[6a]N[5a])(CCHH){1|S<2>,4|C<3>}	122.4435	0.175	2	122.4435	0.031	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	124.2473	0.359	3	124.2473	0.129	3	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	124.9005	0.897	2	124.9005	0.805	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	125.6280	0.000	1	125.4900	0.038	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC3){1|H<1>,4|C<3>}	125.3520	0.000	1	125.4900	0.038	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|H<1>,4|C<3>}	123.0360	0.962	2	123.0360	0.925	2	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	125.1520	0.000	1	124.7506	1.499	23	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	121.1660	0.000	1	124.7506	1.499	23	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.2430	1.800	2	124.7506	1.499	23	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.9064	0.902	18	124.7506	1.499	23	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	126.1430	0.000	1	124.7506	1.499	23	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHS){1|H<1>,4|C<3>}	123.5970	0.000	1	123.5970	0.000	1	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	123.5500	0.000	1	123.8542	0.930	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	124.1940	1.345	2	123.8542	0.930	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	122.7950	0.000	1	123.8542	0.930	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5]HH){1|H<1>,4|C<3>}	124.5380	0.000	1	123.8542	0.930	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){1|H<1>,4|C<3>}	123.7230	0.000	1	123.7230	0.000	1	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	124.0360	0.524	3	124.6816	1.305	26	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	125.7620	0.000	1	124.6816	1.305	26	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	124.7205	1.188	22	124.6816	1.305	26	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	124.9223	0.404	3	124.5204	0.427	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	123.9175	0.412	2	124.5204	0.427	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCCH){4|C<3>}	124.3860	0.000	1	124.3860	0.000	1	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	124.2710	0.000	1	124.4308	0.424	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){4|C<3>}	124.4707	0.745	4	124.4308	0.424	5	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){4|C<3>}	125.4183	0.514	3	125.4183	0.265	3	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){4|C<3>}	124.0650	0.000	1	124.0650	0.000	1	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CH3){4|C<3>}	124.2540	1.800	3	124.2540	3.241	3	124.4782	2.120	111	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5]N[5]H){1|H<1>,4|C<4>,5|C<3>}	123.8790	0.000	1	123.8790	0.000	1	124.1908	2.184	18	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	124.1140	0.000	1	124.2091	2.314	17	124.1908	2.184	18	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	124.2151	1.571	16	124.2091	2.314	17	124.1908	2.184	18	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO)	C[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2{1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[6a]OO){1|H<1>,4|C<3>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	124.5775	1.351	2	124.5775	1.826	2	123.4310	2.932	4	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,4|C<3>}	121.3590	0.000	1	121.3590	0.000	1	123.4310	2.932	4	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	123.2100	0.000	1	123.2100	0.000	1	123.4310	2.932	4	124.4022	2.142	134	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:2:3:	3:3:3:	3:4:3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]O[5]H)(C[5a]C[6a]N[5a]){1|H<1>,7|C<3>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	2:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	C[6a](N[6a]N[5a,6a])(C[5a]N[5a]2)(C[6a]N[6a]N){1|C<3>,1|H<1>,3|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	2:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	124.4030	0.000	1	124.4030	0.000	1	124.4030	0.000	1	124.4030	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	2:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[6a]-2:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2)	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]2)(N[5a]C[5a]){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]Br)(C[5a]N[5a]2){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	2:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	N[6a]-2:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[5a]N[5a]2)(C[6a]N[6a]H){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	125.1250	0.000	1	125.1250	0.000	1	125.1250	0.000	1	125.1250	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	124.3470	1.819	2	124.3470	3.308	2	124.3470	3.308	2	125.2817	4.275	3	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:2:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:S[6a]-2:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(CCHH){1|S<2>,3|C<3>}	127.1510	0.000	1	127.1510	0.000	1	127.1510	0.000	1	125.2817	4.275	3	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	123.9003	0.948	3	123.6655	0.819	4	124.2820	0.922	9	124.6332	3.964	11	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	122.9610	0.000	1	123.6655	0.819	4	124.2820	0.922	9	124.6332	3.964	11	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	125.4330	0.000	1	125.4330	0.000	1	124.2820	0.922	9	124.6332	3.964	11	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	124.6107	0.740	4	124.6107	0.548	4	124.2820	0.922	9	124.6332	3.964	11	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	C[6a](C[6a]C[5a]N[6a])(C[5a]N[5a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,3|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	126.2135	5.115	2	126.2135	26.158	2	126.2135	26.158	2	124.6332	3.964	11	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:In-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|In<3>,1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC){1|C<3>,1|N<2>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	126.9735	0.350	2	126.9735	0.123	2	126.9735	0.123	2	126.9735	0.123	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(N[6a]C[6a]){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	122.6950	0.468	2	122.6950	0.219	2	122.6950	0.219	2	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	123.6784	1.055	5	123.6784	1.113	5	123.6784	1.113	5	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	121.1115	0.763	16	121.3862	1.482	18	121.3862	1.482	18	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	123.5840	2.365	2	121.3862	1.482	18	121.3862	1.482	18	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|N<2>,3|C<3>}	125.8800	0.000	1	125.8800	0.000	1	123.3925	0.912	11	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	123.3180	0.093	6	123.3180	0.009	6	123.3925	0.912	11	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	122.8825	0.779	4	122.8825	0.607	4	123.3925	0.912	11	122.3903	2.190	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	125.4938	1.588	4	125.4938	2.522	4	125.6365	1.661	6	125.6365	1.661	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(NC)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(NC){2|C<3>,2|N<2>}	125.9220	0.701	2	125.9220	0.492	2	125.6365	1.661	6	125.6365	1.661	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	126.3780	0.000	1	126.3780	0.000	1	126.3780	0.000	1	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	126.0915	1.374	2	126.0915	1.888	2	126.0915	1.888	2	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	124.2985	0.677	2	124.2985	0.458	2	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	126.4425	0.490	2	126.4425	0.240	2	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|S<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	125.9260	0.000	1	125.9260	0.000	1	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.4523	0.846	6	126.5067	1.251	25	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	126.5239	1.212	19	126.5067	1.251	25	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	126.9340	0.000	1	126.9340	0.000	1	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,4|C<3>}	126.5490	0.000	1	126.5490	0.000	1	126.3612	1.301	32	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(NHH){2|C<3>,2|N<2>}	126.7910	0.560	6	126.7910	0.314	6	126.6763	0.592	13	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(NCH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NCH){2|C<3>,2|N<2>}	127.1873	0.959	3	127.1873	0.921	3	126.6763	0.592	13	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){2|C<3>,2|N<2>}	126.1210	0.730	4	126.1210	0.533	4	126.6763	0.592	13	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	121.7160	0.000	1	123.3065	5.059	2	123.3065	5.059	2	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	124.8970	0.000	1	123.3065	5.059	2	123.3065	5.059	2	126.3105	1.517	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	127.2290	0.000	1	127.0091	5.674	7	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	127.0202	2.912	5	127.0091	5.674	7	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CCHH){1|H<1>,1|N<2>,3|C<3>}	126.7340	0.000	1	127.0091	5.674	7	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]2H){1|H<1>,1|N<2>,3|C<3>}	125.5940	0.000	1	125.5940	0.000	1	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	125.8970	0.000	1	126.8466	4.636	12	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	131.1865	0.305	2	126.8466	4.636	12	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	125.9877	0.844	9	126.8466	4.636	12	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	124.7043	0.806	4	125.1355	0.842	6	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|H<1>,1|N<2>,3|C<3>}	125.9980	0.177	2	125.1355	0.842	6	126.4473	4.177	26	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	127.1190	0.000	1	127.1190	0.000	1	127.1805	2.787	10	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<2>,2|C<3>}	126.9145	1.059	2	126.9145	1.121	2	127.1805	2.787	10	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|H<1>,1|N<2>}	128.2955	3.350	2	128.2955	11.220	2	127.1805	2.787	10	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	125.9680	1.294	3	125.9680	1.674	3	127.1805	2.787	10	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(CCHH){2|C<3>,2|N<2>}	128.1810	0.591	2	128.1810	0.349	2	127.1805	2.787	10	126.6510	3.811	36	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	124.0800	0.728	2	124.0800	0.530	2	124.0800	0.530	2	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	122.9585	1.363	2	122.9585	1.857	2	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	123.6370	0.000	1	124.2786	0.503	8	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|O<2>,2|C<3>}	124.2470	0.587	2	124.2786	0.503	8	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	124.8035	0.310	2	124.2786	0.503	8	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	123.6215	0.558	2	124.2786	0.503	8	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	125.2480	0.000	1	124.2786	0.503	8	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	126.0215	2.027	4	126.0215	4.107	4	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	123.9770	0.000	1	126.1585	9.518	2	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	128.3400	0.000	1	126.1585	9.518	2	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	126.5250	1.658	3	126.5250	2.750	3	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	125.0120	0.000	1	125.9284	0.444	22	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	125.9773	0.591	14	125.9284	0.444	22	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	125.9616	0.806	7	125.9284	0.444	22	125.5256	1.900	41	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]O[6a]O){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	125.7267	0.875	4	125.7267	0.766	4	125.4269	2.004	7	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	126.2240	0.000	1	126.2440	0.001	2	125.4269	2.004	7	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	126.2640	0.000	1	126.2440	0.001	2	125.4269	2.004	7	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,3|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	122.5930	0.000	1	122.5930	0.000	1	125.4269	2.004	7	125.4539	1.889	50	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){3|C<3>}	127.5080	0.000	1	127.5080	0.000	1	127.6280	0.026	3	128.1644	0.587	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){2|C<3>}	127.6880	0.174	2	127.6880	0.030	2	127.6280	0.026	3	128.1644	0.587	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:N[6]-3:	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	128.9690	0.369	2	128.9690	0.136	2	128.9690	0.136	2	128.1644	0.587	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	126.3220	0.000	1	126.3220	0.000	1	126.8320	0.571	4	126.8320	0.571	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	127.0390	0.000	1	127.0390	0.000	1	126.8320	0.571	4	126.8320	0.571	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	126.9835	1.167	2	126.9835	1.363	2	126.8320	0.571	4	126.8320	0.571	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[5a](B[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.8120	0.000	1	123.8120	0.000	1	124.2515	0.386	2	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]O[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|O<2>,3|H<1>}	N[5a](B[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(H){4|C<3>}	124.6910	0.000	1	124.6910	0.000	1	124.2515	0.386	2	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:B[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]O)(H){3|C<3>}	124.7090	0.000	1	124.7090	0.000	1	124.7090	0.000	1	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<2>,2|C<3>}	123.4400	2.293	3	123.4400	5.257	3	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	121.8533	0.628	3	121.8533	0.395	3	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	123.1775	0.551	2	123.1775	0.303	2	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.7255	1.573	2	123.7255	2.475	2	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	123.1370	0.000	1	123.1370	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.4360	1.356	6	126.0102	1.685	11	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.9080	0.000	1	126.0102	1.685	11	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	127.1977	0.848	3	126.0102	1.685	11	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.9950	0.000	1	126.0102	1.685	11	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	126.2320	0.000	1	126.2320	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	123.4510	0.448	6	123.4510	0.201	6	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,4|C<3>}	124.5980	0.000	1	124.4642	0.971	23	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	125.0110	0.000	1	124.4642	0.971	23	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.5053	0.313	4	124.4642	0.971	23	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	124.3175	1.481	2	124.4642	0.971	23	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.4274	1.149	15	124.4642	0.971	23	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	124.7580	0.000	1	124.1012	2.084	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	124.8330	0.000	1	124.1012	2.084	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|N<2>,2|C<3>}	121.5480	0.000	1	124.1012	2.084	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	124.6835	0.414	2	124.1012	2.084	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){5|C<3>}	123.4450	0.000	1	123.4450	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	124.2210	0.000	1	124.4684	1.911	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	123.8950	0.000	1	124.4684	1.911	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	125.0080	2.570	2	124.4684	1.911	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	124.2100	0.000	1	124.4684	1.911	5	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|I<1>,2|C<3>}	124.7640	0.148	2	124.7640	0.022	2	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){2|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]O)2{3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	122.5990	0.000	1	122.5990	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|H<1>,2|C<3>,2|C<4>}	123.7410	0.000	1	123.7410	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(H){2|C<3>}	119.0490	0.000	1	119.0490	0.000	1	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	123.4502	0.454	4	123.4502	0.206	4	124.2161	2.396	72	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(O){1|C<4>,2|C<3>}	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	121.5845	0.086	2	121.5845	0.007	2	122.8055	10.394	4	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.0265	5.021	2	124.0265	25.212	2	122.8055	10.394	4	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|C<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<2>,2|C<3>}	123.3340	0.000	1	123.3340	0.000	1	125.1907	2.646	3	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){3|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	126.1190	0.348	2	126.1190	0.121	2	125.1907	2.646	3	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	121.1135	1.593	2	121.1135	2.538	2	121.8580	2.932	3	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	123.3470	0.000	1	123.3470	0.000	1	121.8580	2.932	3	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	122.4330	0.868	8	122.4330	0.753	8	122.4222	0.587	10	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a,6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){3|H<1>,7|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){5|C<3>}	122.3790	0.054	2	122.3790	0.003	2	122.4222	0.587	10	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	124.4305	2.125	2	124.4305	4.515	2	124.9640	1.898	4	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a])	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5a]N[5a]2)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	125.4975	0.202	2	125.4975	0.041	2	124.9640	1.898	4	123.9787	2.811	101	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH){4|C<3>}	128.7440	0.000	1	128.7440	0.000	1	127.3351	0.851	11	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	127.6450	0.504	6	127.2057	0.894	8	127.3351	0.851	11	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|N<2>,2|O<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NC){2|C<3>}	125.8880	0.598	2	127.2057	0.894	8	127.3351	0.851	11	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(NC)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(NC){4|C<3>}	127.1480	0.259	2	127.1480	0.067	2	127.3351	0.851	11	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a]O)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC[6]){3|C<3>}	125.7680	0.000	1	125.7680	0.000	1	125.7680	0.000	1	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	127.7700	0.000	1	127.0342	1.598	10	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	126.9524	1.313	9	127.0342	1.598	10	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	126.0625	0.431	2	126.4792	0.485	5	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	126.3315	0.296	2	126.4792	0.485	5	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	127.6080	0.000	1	126.4792	0.485	5	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	127.6860	0.721	2	127.6860	0.520	2	126.9476	1.194	17	127.0539	1.083	29	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	124.0755	1.586	13	124.0755	2.516	13	124.0755	2.516	13	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|N<3>,4|C<3>}	126.2850	0.000	1	126.2850	0.000	1	125.8208	3.784	4	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCF){3|C<3>}	125.7270	0.000	1	125.7270	0.000	1	125.8208	3.784	4	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,2|C<3>}	127.9870	0.000	1	127.9870	0.000	1	125.8208	3.784	4	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(COO){3|C<3>}	123.2840	0.000	1	123.2840	0.000	1	125.8208	3.784	4	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]2){1|N<2>,5|C<3>}	124.9440	0.000	1	124.9440	0.000	1	124.9440	0.000	1	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(NHH){2|C<3>}	125.7745	0.798	2	125.7745	0.637	2	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	126.2905	2.379	2	126.2905	5.662	2	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	127.2250	0.000	1	127.2250	0.000	1	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NCH){2|C<3>}	126.3720	0.000	1	126.3720	0.000	1	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	126.7050	2.311	2	126.7050	5.340	2	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	127.9610	0.000	1	127.9610	0.000	1	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH){1|H<1>,2|C<3>}	127.6950	0.000	1	127.6950	0.000	1	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NHH){1|H<1>,2|C<3>}	128.3750	0.000	1	128.3750	0.000	1	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(NCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(NCH){4|C<3>}	126.3620	1.411	6	126.3620	1.990	6	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	128.1451	0.835	7	127.2474	1.371	21	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	127.1710	2.324	2	127.2474	1.371	21	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	126.7364	0.907	12	127.2474	1.371	21	126.9878	1.639	38	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.4300	0.000	1	121.4300	0.000	1	120.8475	0.679	2	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.2650	0.000	1	120.2650	0.000	1	120.8475	0.679	2	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.6890	0.103	2	124.6890	0.011	2	124.6890	0.011	2	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])2(NHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(NHH){4|C<3>}	124.4290	0.168	2	124.4290	0.028	2	124.4290	0.028	2	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,7|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	124.7258	0.679	4	124.7258	0.461	4	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	124.4535	0.121	2	124.4535	0.015	2	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	129.4800	0.000	1	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.6500	0.000	1	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.8507	0.511	3	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	127.3475	0.702	4	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.2900	0.000	1	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	124.8773	3.415	3	127.4611	4.781	13	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.1210	1.742	2	128.1210	3.036	2	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	124.5850	1.662	2	125.3193	0.704	11	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	126.0940	0.000	1	125.3193	0.704	11	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.4060	0.603	8	125.3193	0.704	11	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	124.4470	0.000	1	126.1133	1.115	16	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	125.3670	0.109	2	126.1133	1.115	16	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	126.0126	1.044	8	126.1133	1.115	16	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	126.9060	0.700	5	126.1133	1.115	16	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	123.9710	0.000	1	123.9710	0.000	1	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.5105	0.480	2	126.5105	0.231	2	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	125.1590	0.000	1	127.9667	6.017	3	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	129.3705	0.457	2	127.9667	6.017	3	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.7910	0.000	1	126.7910	0.000	1	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,5|C<3>}	126.6430	0.000	1	126.6430	0.000	1	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	127.9170	0.000	1	127.7543	0.060	3	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	127.6730	0.283	2	127.7543	0.060	3	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.0430	0.000	1	125.0430	0.000	1	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.2820	0.000	1	126.4825	0.080	2	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	126.6830	0.000	1	126.4825	0.080	2	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.3850	2.493	2	126.5757	1.574	26	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.6398	1.079	4	126.5757	1.574	26	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.6449	1.300	18	126.5757	1.574	26	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	126.2550	0.000	1	126.5757	1.574	26	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.7740	0.000	1	126.5757	1.574	26	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	125.7950	0.000	1	125.7950	0.000	1	126.4014	2.419	89	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]){8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a,6a]2)(N[5a]C[5a]){8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]N[5a]2){2|H<1>,8|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	123.7440	1.850	2	123.7440	3.422	2	123.7440	3.422	2	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[5a]N[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	128.1960	0.000	1	128.1960	0.000	1	126.4942	1.927	5	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])2(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.0687	1.167	4	126.0687	1.362	4	126.4942	1.927	5	126.1485	3.290	159	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	126.2600	0.000	1	126.2420	0.186	5	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCCH){1|H<1>,2|C<3>}	126.2375	0.498	4	126.2420	0.186	5	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	123.1460	0.000	1	123.1460	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	124.7070	0.000	1	124.7070	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	121.9550	0.000	1	121.9550	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|N<3>,4|C<3>}	124.2390	0.000	1	124.2390	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	126.0425	0.083	2	126.0425	0.007	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	125.9990	0.049	2	126.0396	2.376	17	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	126.0010	0.000	1	126.0396	2.376	17	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	126.0481	1.710	14	126.0396	2.376	17	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	124.7960	0.000	1	124.7960	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	126.1130	0.000	1	126.0756	0.760	5	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	126.0662	1.006	4	126.0756	0.760	5	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CCHH){1|P<4>,2|C<3>}	126.3160	0.000	1	126.3160	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]HH){3|C<3>}	125.2320	0.000	1	125.2320	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|N<2>,2|C<3>}	123.1040	0.000	1	124.6330	4.676	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	126.1620	0.000	1	124.6330	4.676	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,4|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){1|H<1>,2|C<3>}	125.3555	0.794	2	125.1102	1.243	6	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]HH){3|C<3>}	124.9875	1.342	4	125.1102	1.243	6	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CHHO){3|C<3>}	125.0960	0.000	1	125.0960	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|H<1>,2|C<3>}	124.9370	0.160	2	124.5190	0.537	3	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){3|C<3>}	123.6830	0.000	1	124.5190	0.537	3	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]P)(CCHH){1|C<4>,2|C<3>}	125.5400	0.000	1	125.5400	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	129.1770	0.000	1	129.1770	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a]C[6a]N[5a])2(CH3)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(CH3){4|C<3>}	125.9495	0.623	2	125.9495	0.388	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)(CCHH){2|C<3>}	125.9320	0.000	1	125.9320	0.000	1	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	125.5625	0.008	2	125.4590	0.032	3	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CCHH){1|H<1>,2|C<3>}	125.2520	0.000	1	125.4590	0.032	3	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(CCHH){4|C<3>}	126.0690	0.327	2	126.0690	0.107	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])2(CC[6a]HH){4|C<3>}	127.6480	0.052	2	127.6480	0.003	2	125.6946	1.916	60	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	122.8360	0.310	2	123.4047	1.018	3	123.3670	0.684	4	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CH3){1|O<1>,2|C<3>,2|N<3>}	124.5420	0.000	1	123.4047	1.018	3	123.3670	0.684	4	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){1|H<1>,4|C<3>}	123.2540	0.000	1	123.2540	0.000	1	123.3670	0.684	4	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])(C[5]C[5]O[5]H){2|C<4>,2|H<1>,4|C<3>}	124.4930	0.044	2	124.4930	0.002	2	124.4930	0.002	2	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	123.9600	0.000	1	123.9600	0.000	1	122.7890	2.742	2	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	121.6180	0.000	1	121.6180	0.000	1	122.7890	2.742	2	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	124.2250	0.000	1	124.2250	0.000	1	124.2250	0.000	1	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a])	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(C[5a]N[5a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	124.4050	0.215	2	124.4050	0.046	2	124.4050	0.046	2	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	123.5160	0.000	1	123.5160	0.000	1	126.4969	1.512	12	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	126.3870	0.578	6	126.3870	0.334	6	126.4969	1.512	12	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|F<1>,2|N<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]F)2{1|C<4>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	128.7140	0.000	1	128.7140	0.000	1	126.4969	1.512	12	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,2|N<2>,5|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	126.8528	0.439	4	126.8528	0.193	4	126.4969	1.512	12	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	123.7670	0.000	1	123.7670	0.000	1	127.5172	4.301	6	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	128.3553	1.270	3	128.2672	1.157	5	127.5172	4.301	6	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:3:4:	N[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]Cl)(C[5a]N[5a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	128.1350	1.161	2	128.2672	1.157	5	127.5172	4.301	6	125.6757	2.596	90	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	3:4:2:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	125.9480	0.000	1	125.9480	0.000	1	125.9480	0.000	1	125.9480	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:2:	3:3:3:	4:3:3:	N[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	125.8955	1.609	2	125.8955	2.588	2	125.8955	2.588	2	125.8955	2.588	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|N<2>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|H<1>,1|N<3>,2|N<2>}	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|N<3>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	127.5670	0.000	1	127.5670	0.000	1	127.5670	0.000	1	127.5670	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	117.3370	0.000	1	117.3370	0.000	1	120.2230	6.487	3	120.2230	6.487	3	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	121.6660	0.693	2	121.6660	0.480	2	120.2230	6.487	3	120.2230	6.487	3	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,3|C<3>,4|H<1>}	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	122.3270	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N[6a]-2:N[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]N[6a]2){1|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.2645	0.179	2	122.2645	0.032	2	122.2645	0.032	2	123.7355	2.990	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:2:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6a]-2:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6,6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	125.2065	0.532	2	125.2065	0.284	2	125.2065	0.284	2	123.7355	2.990	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	122.0020	0.000	1	122.0020	0.000	1	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.6970	0.000	1	121.1657	1.451	17	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	121.0875	0.093	2	121.1657	1.451	17	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	121.7356	1.447	7	121.1657	1.451	17	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	120.3994	0.561	7	121.1657	1.451	17	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	120.8500	0.000	1	120.8500	0.000	1	121.1931	1.333	19	121.1931	1.333	19	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	126.2338	1.954	6	126.2338	3.819	6	126.2338	3.819	6	126.2338	3.819	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){1|N<2>,3|C<3>}	121.7465	0.868	2	121.7465	0.753	2	121.7465	0.753	2	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<2>,2|C<3>}	119.3920	0.000	1	119.3920	0.000	1	118.3264	2.043	5	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	117.1710	0.694	2	117.1710	0.482	2	118.3264	2.043	5	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	118.9490	1.764	2	118.9490	3.110	2	118.3264	2.043	5	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6,6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	119.6000	1.110	2	119.6000	1.232	2	119.9443	0.972	3	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,3|C<3>}	120.6330	0.000	1	120.6330	0.000	1	119.9443	0.972	3	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	117.9064	0.471	5	117.9064	0.222	5	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	120.4538	1.733	10	119.4715	3.612	20	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	116.6100	1.626	2	119.4715	3.612	20	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	119.0638	1.421	6	119.4715	3.612	20	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	118.6440	0.683	2	119.4715	3.612	20	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|C<4>,2|N<2>}	118.7451	0.675	7	118.7451	0.455	7	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	119.7160	1.546	3	119.7160	2.389	3	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	118.8405	1.010	2	118.8405	1.021	2	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	119.6870	0.000	1	119.4137	3.272	4	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	119.3227	2.204	3	119.4137	3.272	4	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	117.2253	0.111	3	117.2253	0.012	3	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]N[6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	118.4980	0.702	3	118.4980	0.493	3	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.5440	0.000	1	120.5440	0.000	1	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	121.9248	3.977	6	121.6979	10.120	9	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	121.4830	0.776	2	121.6979	10.120	9	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,2|H<1>}	120.7660	0.000	1	121.6979	10.120	9	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	121.4990	0.501	2	120.7482	0.391	12	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	119.9805	0.313	2	120.7482	0.391	12	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	121.3660	0.194	2	120.7482	0.391	12	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	120.5478	0.347	6	120.7482	0.391	12	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]C[5])(N[6a]C[6a,6a]){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|H<1>}	126.5910	0.501	3	126.5910	0.251	3	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]S)(N[5a]C[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){2|C<3>,2|N<2>,2|S<2>}	118.6905	0.146	4	118.6905	0.021	4	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){2|N<2>,3|C<3>}	121.1860	0.000	1	121.1860	0.000	1	119.9007	5.502	77	119.8542	5.210	87	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	123.6160	0.000	1	123.6160	0.000	1	123.6160	0.000	1	124.9165	3.383	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	126.2170	0.000	1	126.2170	0.000	1	126.2170	0.000	1	124.9165	3.383	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:Ga-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(GaCl2)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(GaCl2){2|C<3>,2|H<1>,2|N<2>}	115.1530	0.130	2	115.1530	0.017	2	113.6125	3.199	4	116.4135	21.328	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:Ga-3:	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])2(GaClIr)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a]Ga)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|Ga<3>,1|P<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(GaClIr){2|C<3>,2|H<1>,2|N<2>}	112.0720	0.296	2	112.0720	0.087	2	113.6125	3.199	4	116.4135	21.328	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:3:	N[5a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	122.0155	1.702	2	122.0155	2.897	2	122.0155	2.897	2	116.4135	21.328	6	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|N<2>,2|H<1>,3|C<3>}	123.9920	0.433	2	123.9920	0.187	2	123.9920	0.187	2	124.5990	0.567	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,2|H<1>}	125.2060	0.199	2	125.2060	0.040	2	125.2060	0.040	2	124.5990	0.567	4	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[6a]-2:	C[5a]-3:B[5a]-4:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]B[5a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]CC)(H){1|N<2>,3|C<3>}	124.9215	0.254	2	124.9215	0.064	2	124.9215	0.064	2	124.9215	0.064	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,1|N<3>,2|C<3>}	121.1150	0.000	1	121.1150	0.000	1	122.1020	1.948	2	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	123.0890	0.000	1	123.0890	0.000	1	122.1020	1.948	2	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	121.4240	0.000	1	120.7047	0.371	6	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	120.8103	0.620	3	120.7047	0.371	6	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	120.1865	0.016	2	120.7047	0.371	6	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	120.1564	0.620	7	120.1564	0.384	7	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	120.7300	0.153	2	120.7300	0.023	2	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	123.1010	0.000	1	123.1010	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	120.7450	0.000	1	120.7450	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	124.2735	0.729	2	124.2693	0.266	3	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	124.2610	0.000	1	124.2693	0.266	3	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	123.6000	0.000	1	123.6000	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	123.0890	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	122.5050	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	122.9259	0.516	10	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	122.6527	0.569	4	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	122.5740	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	122.3800	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	121.6720	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	121.1410	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|O<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	121.0580	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	122.8995	0.973	24	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	121.3440	0.000	1	122.7222	0.776	46	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	121.2600	0.000	1	121.2600	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	122.4660	0.751	3	122.4660	0.563	3	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Se<2>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,3|C<3>}	120.5350	0.000	1	120.5350	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<2>,2|C<3>}	124.6710	0.000	1	124.6710	0.000	1	122.2805	1.749	74	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	122.2563	1.736	77	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	125.2920	0.000	1	125.2920	0.000	1	125.2920	0.000	1	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.6865	0.839	2	123.6657	3.229	3	123.6657	3.229	3	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.6240	0.000	1	123.6657	3.229	3	123.6657	3.229	3	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC){1|H<1>,3|C<3>}	127.9775	0.359	2	127.9775	0.129	2	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|H<1>,3|C<3>}	126.5195	0.447	4	126.5195	0.200	4	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	125.1715	0.709	2	125.1715	0.503	2	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|I<1>,3|C<3>}	124.9750	0.000	1	124.9750	0.000	1	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	123.4580	0.000	1	123.4580	0.000	1	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	123.7640	0.000	1	123.7640	0.000	1	125.8703	2.383	11	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	125.0884	4.247	16	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	127.7110	0.000	1	127.7110	0.000	1	127.7110	0.000	1	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	123.3880	0.000	1	123.3880	0.000	1	123.3580	0.421	3	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]F)2{1|B<4>,1|N<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	123.3430	0.916	2	123.3430	0.840	2	123.3580	0.421	3	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	123.7720	2.587	3	123.7720	6.695	3	123.4138	3.629	5	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|B<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	123.1650	0.000	1	123.1650	0.000	1	123.4138	3.629	5	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:B-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	122.5880	0.000	1	122.5880	0.000	1	123.4138	3.629	5	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	125.5640	0.000	1	125.5640	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	122.2430	0.000	1	122.2430	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	122.2020	0.000	1	122.2020	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	124.8677	1.010	6	124.8677	1.020	6	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	123.5840	2.592	2	123.5840	6.720	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	127.5930	0.000	1	126.8770	0.308	5	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	126.6980	0.445	4	126.8770	0.308	5	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	123.7390	0.000	1	123.3160	0.684	3	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	123.1045	1.049	2	123.3160	0.684	3	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	124.9300	0.907	2	124.9300	0.822	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	123.9040	0.000	1	123.5925	0.194	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	123.2810	0.000	1	123.5925	0.194	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	126.6860	0.000	1	126.6860	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	124.7893	0.199	3	124.7893	0.040	3	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	125.0235	1.204	2	125.0235	1.450	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	122.6610	0.000	1	122.6610	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	122.7510	0.000	1	122.1470	0.730	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	121.5430	0.000	1	122.1470	0.730	2	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	122.2000	0.000	1	122.2000	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	124.9570	0.000	1	124.9570	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	125.1270	0.000	1	125.1270	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	127.2230	0.419	3	127.2230	0.176	3	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	123.1920	0.000	1	123.1920	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	126.0060	0.728	3	124.2133	5.082	8	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	123.1376	2.184	5	124.2133	5.082	8	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	126.5000	0.000	1	126.5000	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	125.3720	0.000	1	125.3720	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	125.3423	0.593	3	125.3423	0.351	3	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	123.2200	0.000	1	123.2200	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<6>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	120.5910	0.000	1	120.5910	0.000	1	124.5996	3.332	54	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:S-4:	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	124.8220	0.000	1	124.8220	0.000	1	124.8220	0.000	1	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	121.8810	0.000	1	121.8810	0.000	1	121.9770	0.018	2	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	122.0730	0.000	1	122.0730	0.000	1	121.9770	0.018	2	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	124.3943	3.471	67	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(H){4|C<3>}	121.0600	0.000	1	121.0600	0.000	1	122.0625	0.658	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(H){4|C<3>}	122.6175	0.585	2	122.6175	0.342	2	122.0625	0.658	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]O)(H)	C[5a](C[5,5a]C[5,6a]N[5,5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]O)(H){4|C<3>}	121.9550	0.000	1	121.9550	0.000	1	122.0625	0.658	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(H){1|C<4>,5|C<3>}	122.4300	0.000	1	122.9000	0.442	2	122.9000	0.442	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])2(H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6]C[6a])2(H){1|C<4>,5|C<3>}	123.3700	0.000	1	122.9000	0.442	2	122.9000	0.442	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	122.3790	0.000	1	122.3790	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|C<4>}	121.5000	0.470	2	121.5000	0.220	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	119.2380	0.000	1	121.4960	2.028	10	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	121.6840	0.000	1	121.4960	2.028	10	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,3|C<3>}	121.9597	1.313	3	121.4960	2.028	10	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){4|C<3>}	122.5680	0.222	3	121.4960	2.028	10	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	120.2275	1.503	2	121.4960	2.028	10	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	120.8196	0.752	15	120.8196	0.565	15	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	120.3140	0.367	3	119.8605	0.912	4	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){4|C<3>}	118.5000	0.000	1	119.8605	0.912	4	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	119.7050	0.000	1	121.2115	4.539	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){4|C<3>}	122.7180	0.000	1	121.2115	4.539	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|C<4>,5|C<3>}	120.9210	0.000	1	121.1491	2.162	14	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|C<4>,5|C<3>}	122.3970	0.000	1	121.1491	2.162	14	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	121.6176	1.276	9	121.1491	2.162	14	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	119.4040	1.084	3	121.1491	2.162	14	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	120.7740	0.513	2	120.7740	0.264	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	119.9710	0.000	1	119.9710	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)(H){1|N<3>,5|C<3>}	119.8570	0.000	1	119.8570	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,5|C<3>}	121.6823	1.096	3	121.6823	1.202	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	120.1585	1.713	2	120.2273	1.482	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	120.3650	0.000	1	120.2273	1.482	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	120.9430	0.000	1	120.9430	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(N[5a]C[5a]H){1|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|F<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|F<1>,3|C<3>}	124.2643	0.093	3	124.2643	0.009	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.6010	1.971	2	123.6010	3.886	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	124.2675	0.298	2	124.2675	0.089	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.9670	0.000	1	122.9670	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)2{4|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	120.5570	0.000	1	120.5570	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	120.8957	1.564	3	122.0275	2.554	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.7066	1.307	5	122.0275	2.554	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	121.8710	2.138	5	123.3245	3.976	11	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	124.6464	0.660	5	123.3245	3.976	11	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.9830	0.000	1	123.3245	3.976	11	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	122.1890	2.762	2	122.1890	7.628	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	124.4205	0.342	2	124.4205	0.117	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	122.5310	0.000	1	122.5310	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.7920	0.636	2	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.2080	0.000	1	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	123.3010	0.505	2	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|C<4>,1|H<1>,2|C<3>}	123.3150	0.000	1	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,3|C<3>}	123.9875	0.272	4	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.4755	0.803	2	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.0010	0.949	12	123.2342	0.647	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(H){1|N<2>,2|H<1>,3|C<3>}	122.6800	0.000	1	122.6800	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	123.3745	0.269	2	122.9293	0.514	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.9360	0.235	2	122.9293	0.514	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.9562	0.747	8	122.9293	0.514	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.8361	0.813	12	122.9293	0.514	24	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	122.6280	0.000	1	122.4339	0.392	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	122.8047	0.617	4	122.4339	0.392	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	121.8500	0.000	1	122.4339	0.392	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	122.0800	0.000	1	122.4339	0.392	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	121.6940	0.000	1	122.4339	0.392	8	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(H){1|H<1>,3|C<3>}	121.8165	2.094	4	121.8165	4.387	4	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,5|C<3>}	120.9930	0.000	1	120.9475	0.004	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|H<1>,5|C<3>}	120.9020	0.000	1	120.9475	0.004	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,1|N<2>,4|C<3>}	120.8480	0.860	2	122.4594	0.836	16	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|H<1>,5|C<3>}	122.6103	0.627	6	122.4594	0.836	16	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|B<3>,2|H<1>,3|C<3>}	122.1145	0.875	2	122.4594	0.836	16	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])2(H){1|N<2>,2|H<1>,3|C<3>}	122.9607	0.632	6	122.4594	0.836	16	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|I<1>,1|O<2>,4|C<3>}	122.6937	1.154	4	122.6937	1.332	4	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	122.0270	0.000	1	122.0200	0.039	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	122.0165	0.281	2	122.0200	0.039	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|N<3>,3|C<3>}	121.2720	0.000	1	121.2720	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|O<2>,2|C<3>}	122.3005	0.605	2	122.3005	0.366	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|C<4>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|S<2>,3|C<3>}	121.0790	0.000	1	121.0790	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){1|H<1>,1|S<4>,2|C<3>}	120.1850	0.000	1	120.1850	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(H){1|S<2>,4|C<3>}	119.9290	1.508	2	119.9290	2.273	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	120.8172	1.075	44	120.8636	1.129	48	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	121.3743	0.860	4	120.8636	1.129	48	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(H){3|C<3>}	121.6684	0.160	5	121.6684	0.026	5	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(H){3|C<3>}	121.0870	0.000	1	121.0870	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	120.0105	0.011	2	120.0105	0.000	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){5|C<3>}	121.5990	0.000	1	121.5990	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){3|C<3>}	121.0657	0.464	3	121.0657	0.216	3	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(H){3|C<3>}	120.9090	0.000	1	120.9090	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	123.3610	0.000	1	123.3610	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(H){1|C<4>,1|H<1>,2|C<3>}	123.3167	0.460	6	123.3167	0.211	6	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|N<3>,4|C<3>}	122.8800	0.000	1	122.8800	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H)	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(H){1|S<2>,4|C<3>}	122.7380	0.000	1	122.7380	0.000	1	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H)	C[5a](C[5a]O[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(H){1|C<4>,2|C<3>}	121.6335	0.374	2	121.6335	0.140	2	121.9082	2.196	257	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	119.4680	0.000	1	119.4680	0.000	1	119.6243	0.245	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	119.6763	0.592	3	119.6763	0.351	3	119.6243	0.245	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(C[6a]C[6a,6a]2)(N[5a]C[5a,6a]H){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,3|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,5a]C[5a])(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]C[6a])(H){1|N<2>,5|C<3>}	119.1710	0.000	1	119.1710	0.000	1	120.6620	4.446	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]N[5a,5a]H)(N[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	122.1530	0.000	1	122.1530	0.000	1	120.6620	4.446	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|O<1>,1|S<2>,4|C<3>}	120.2465	0.390	2	120.2465	0.152	2	120.2465	0.152	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	121.8420	0.000	1	121.8420	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	124.3270	0.880	5	123.9554	0.584	13	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	123.7231	0.632	8	123.9554	0.584	13	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	118.1670	0.000	1	118.1670	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	120.3210	0.588	2	120.3210	0.346	2	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<2>,1|H<1>,4|C<3>}	121.1310	0.000	1	119.4968	1.492	29	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	119.5933	1.268	13	119.4968	1.492	29	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	118.1255	0.254	2	119.4968	1.492	29	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,5|C<3>}	117.7020	0.000	1	119.4968	1.492	29	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	119.6342	1.062	12	119.4968	1.492	29	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,4|C<3>}	119.8835	0.385	2	119.3086	0.849	5	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|N<2>,4|C<3>}	118.1270	0.000	1	119.3086	0.849	5	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	119.3245	1.091	2	119.3086	0.849	5	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	120.5190	0.000	1	119.7963	0.635	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	119.1630	0.535	2	119.7963	0.635	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	120.3400	0.000	1	119.7963	0.635	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	119.8676	0.950	8	119.8676	0.902	8	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	119.8870	0.000	1	119.8870	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	119.4295	0.907	2	119.4295	0.823	2	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){5|C<3>}	120.0790	0.000	1	120.0790	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	121.3420	0.000	1	121.3420	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	119.7250	0.000	1	119.7250	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	120.3175	0.264	2	120.3175	0.070	2	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|Cl<1>,5|C<3>}	119.2160	0.000	1	119.4492	0.224	6	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	119.6250	0.673	3	119.4492	0.224	6	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){6|C<3>}	119.3020	0.148	2	119.4492	0.224	6	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	121.1505	0.525	2	121.1505	0.276	2	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	124.2480	0.000	1	124.2480	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	121.5995	0.716	2	121.7660	0.416	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	122.4910	0.000	1	121.7660	0.416	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(H){1|H<1>,5|C<3>}	121.3740	0.000	1	121.7660	0.416	4	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	120.8165	0.022	2	122.2430	2.303	8	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){2|H<1>,4|C<3>}	122.7185	1.462	6	122.2430	2.303	8	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,4|C<3>}	122.2540	0.221	2	122.2003	0.033	3	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,4|C<3>}	122.0930	0.000	1	122.2003	0.033	3	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	120.9335	0.533	4	120.7240	0.433	5	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	119.8860	0.000	1	120.7240	0.433	5	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]N[5])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,5|C<3>}	121.7660	1.047	2	121.7660	1.095	2	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|P<4>,4|C<3>}	118.5720	0.000	1	118.5720	0.000	1	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	121.5650	0.000	1	119.9297	2.394	3	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|N<3>,1|S<2>,4|C<3>}	119.7350	0.000	1	119.9297	2.394	3	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(H){1|H<1>,1|S<4>,4|C<3>}	118.4890	0.000	1	119.9297	2.394	3	120.6891	3.443	106	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	B[6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){1|B<3>,2|H<1>,3|C<3>}	121.5205	0.435	2	121.5205	0.189	2	121.5205	0.189	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[6a]C[6a,6a]C[5,6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a]){3|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.1090	0.448	4	122.1090	0.201	4	122.1090	0.201	4	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){1|C<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){1|C<2>,1|H<1>,2|C<3>}	123.4440	0.000	1	123.4440	0.000	1	121.8025	5.389	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])2(H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])2(H){6|C<3>}	120.1610	0.000	1	120.1610	0.000	1	121.8025	5.389	2	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){4|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	121.9140	0.000	1	121.9140	0.000	1	121.9140	0.000	1	121.5431	2.795	388	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]N){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(NC){2|C<3>,2|C<4>}	125.1370	0.000	1	125.1370	0.000	1	125.1370	0.000	1	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]O){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	121.6700	0.000	1	121.6700	0.000	1	123.0910	4.038	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OH){1|C<4>,1|H<1>,2|C<3>}	124.5120	0.000	1	124.5120	0.000	1	123.0910	4.038	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	121.3325	1.392	2	121.3325	1.938	2	121.3325	1.938	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:O-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(OH){1|H<1>,5|C<3>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	121.3890	0.000	1	121.3890	0.000	1	124.1798	1.889	10	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	124.7816	0.379	5	124.7816	0.144	5	124.1798	1.889	10	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	124.7290	0.000	1	124.7290	0.000	1	124.1798	1.889	10	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	123.9240	1.779	3	123.9240	3.164	3	124.1798	1.889	10	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	124.3800	0.000	1	124.3800	0.000	1	121.9973	4.979	3	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	120.8060	1.201	2	120.8060	1.442	2	121.9973	4.979	3	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	126.4840	0.000	1	126.4840	0.000	1	126.9710	0.474	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	127.4580	0.000	1	127.4580	0.000	1	126.9710	0.474	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	123.1020	0.000	1	123.1020	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	125.3520	0.000	1	121.8863	9.167	3	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	120.5520	0.000	1	121.8863	9.167	3	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	119.7550	0.000	1	121.8863	9.167	3	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	127.4560	0.000	1	127.4560	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	123.3375	2.583	2	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	124.4107	0.278	3	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	122.9513	1.119	3	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	123.0280	1.186	6	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	121.5665	0.255	2	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	122.1190	0.091	2	123.0167	1.665	18	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.9720	0.000	1	125.9720	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	126.0510	0.000	1	126.0510	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	124.9540	0.000	1	124.9540	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	123.5620	0.000	1	123.2850	0.130	4	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	123.1927	0.380	3	123.2850	0.130	4	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	122.4740	0.000	1	123.9405	4.301	2	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	125.4070	0.000	1	123.9405	4.301	2	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	125.0013	0.828	28	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	124.5260	1.730	2	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	124.6910	0.000	1	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	124.7440	1.850	3	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	125.0480	0.000	1	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	122.6450	0.000	1	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	124.4420	0.000	1	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	124.6430	1.015	24	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	124.3170	0.000	2	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	124.1260	1.547	4	124.7271	1.029	67	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	126.6877	1.883	3	126.6877	3.548	3	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	121.7015	0.586	2	121.7015	0.344	2	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	126.3705	0.023	2	125.6457	1.298	4	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	124.9210	1.339	2	125.6457	1.298	4	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,3|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	127.3800	0.000	1	127.3800	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	127.6510	0.103	2	127.6510	0.011	2	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	123.5307	1.724	3	123.5307	2.974	3	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	127.7450	0.000	1	127.7450	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	125.0300	0.000	1	125.0300	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Si<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	123.6510	0.000	1	123.6510	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	124.9490	0.000	1	124.9490	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	127.3480	0.000	1	127.3480	0.000	1	124.4813	2.611	119	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	125.7160	0.000	1	124.4485	3.213	2	124.4485	3.213	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	123.1810	0.000	1	124.4485	3.213	2	124.4485	3.213	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){1|N<2>,3|H<1>,7|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	124.7025	1.300	2	124.7025	1.691	2	124.7025	1.691	2	124.3394	2.918	146	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	124.5290	0.000	1	124.5290	0.000	1	124.4567	0.006	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(COO){4|C<3>}	124.4205	0.064	2	124.4205	0.004	2	124.4567	0.006	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.4480	0.000	1	123.4480	0.000	1	123.4480	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	121.6810	0.000	1	120.5195	2.698	2	120.5195	2.698	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	119.3580	0.000	1	120.5195	2.698	2	120.5195	2.698	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	120.5340	0.000	1	122.2550	2.337	3	122.2550	2.337	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	123.1155	0.480	2	122.2550	2.337	3	122.2550	2.337	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CNO){1|H<1>,3|C<3>}	124.4690	0.000	1	124.4690	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(CCO)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(CCO){1|H<1>,5|C<3>}	120.5570	0.000	1	120.5570	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	125.0375	0.173	2	125.0375	0.030	2	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCO){2|C<3>,2|H<1>}	123.8630	0.000	1	123.8630	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|I<1>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){1|H<1>,1|I<1>,2|C<3>}	125.5630	0.000	1	125.5630	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(CCO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(CCO){1|H<1>,5|C<3>}	124.6690	0.000	1	124.6690	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CNN){3|C<3>}	122.2172	0.582	4	122.2172	0.338	4	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCO){1|N<3>,4|C<3>}	124.9110	0.000	1	124.9110	0.000	1	123.5813	2.693	12	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]N){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC){1|C<4>,1|H<1>,2|C<3>}	119.1830	0.000	1	119.1830	0.000	1	121.5865	11.554	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	123.9900	0.000	1	123.9900	0.000	1	121.5865	11.554	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N){1|O<2>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]O){1|N<3>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	121.3775	1.815	2	121.3775	3.295	2	121.3775	3.295	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	123.9710	0.192	2	123.9710	0.037	2	123.9710	0.037	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	121.5430	0.000	1	121.5430	0.000	1	120.8397	0.587	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C[6a])(NCH){6|C<3>}	120.4880	0.658	2	120.4880	0.432	2	120.8397	0.587	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]C[5a]C[6a])(COO){1|H<1>,4|C<3>}	123.5050	0.000	1	123.5050	0.000	1	123.5050	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6]C[5a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6]C[5])(N[5a]C[5a,6]N)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(NCH){2|C<4>,2|H<1>,3|C<3>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,5|C<3>}	124.9815	0.227	2	124.9815	0.052	2	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCC){1|C<4>,1|H<1>,4|C<3>}	119.0790	0.000	1	119.0790	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	125.2790	0.000	1	125.2790	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNN){1|C<4>,5|C<3>}	119.3280	0.211	2	119.3280	0.044	2	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<2>,1|H<1>,4|C<3>}	124.3270	0.000	1	124.3270	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|H<1>,5|C<3>}	121.5140	0.000	1	121.5140	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	120.2985	0.719	2	120.2985	0.517	2	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	123.9710	0.000	1	123.9710	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CNO){1|H<1>,5|C<3>}	122.5290	0.000	1	122.5290	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){2|H<1>,4|C<3>}	121.6400	0.000	1	121.6400	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	123.5055	0.257	2	123.5055	0.066	2	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN[6]N){2|H<1>,4|C<3>}	123.4430	0.000	1	123.4430	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|H<1>,1|P<4>,4|C<3>}	120.0540	0.000	1	120.0540	0.000	1	122.2390	4.824	17	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<3>,7|C<3>}	120.9410	0.000	1	120.9410	0.000	1	120.9410	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,8|C<3>}	121.6715	0.511	2	121.6715	0.261	2	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.2080	0.000	1	121.2080	0.000	1	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){2|H<1>,7|C<3>}	122.1940	0.000	1	122.1940	0.000	1	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	122.4470	0.000	1	124.0948	1.984	4	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<3>,2|C<4>,6|C<3>}	123.4150	0.000	1	124.0948	1.984	4	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<4>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|C<4>,7|C<3>}	125.2585	0.258	2	124.0948	1.984	4	122.8905	2.615	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	121.3450	0.000	1	121.3450	0.000	1	122.0093	1.799	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){2|H<1>,4|C<3>}	121.1300	0.000	1	121.1300	0.000	1	122.0093	1.799	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(NCH){1|H<1>,1|O<2>,4|C<3>}	123.5530	0.000	1	123.5530	0.000	1	122.0093	1.799	3	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|N<2>,1|N<3>,1|P<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a]){2|H<1>,4|C<3>}	125.1605	0.080	2	125.1605	0.006	2	124.6150	0.405	4	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|P<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(PC[6a]N[5a]){2|H<1>,4|C<3>}	124.0695	0.139	2	124.0695	0.019	2	124.6150	0.405	4	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	120.7415	1.022	2	120.7415	1.044	2	120.7415	1.044	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.1840	0.000	1	123.1840	0.000	1	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	124.4350	0.000	1	124.4350	0.000	1	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	123.6850	0.000	1	122.3998	1.886	30	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.3554	1.376	29	122.3998	1.886	30	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	123.3440	0.000	1	123.3440	0.000	1	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	120.1920	0.000	1	120.1920	0.000	1	122.4455	1.974	34	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|N<2>,5|C<3>}	125.1220	0.000	1	125.1220	0.000	1	125.1220	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCO){1|C<4>,1|H<1>,4|C<3>}	122.7045	0.028	2	122.7045	0.001	2	122.9800	0.398	6	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	122.0370	0.000	1	122.0370	0.000	1	122.9800	0.398	6	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	123.4780	0.318	3	123.4780	0.101	3	122.9800	0.398	6	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	B[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,5|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	123.7095	0.778	4	123.7095	0.606	4	123.7095	0.606	4	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5a]C[5a]N[5a]){3|H<1>,8|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(COO){2|C<3>,2|H<1>}	125.3700	0.000	1	125.3700	0.000	1	125.3700	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){2|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	123.3925	0.471	13	123.3925	0.222	13	123.4390	0.520	26	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	124.8330	0.000	1	124.8330	0.000	1	123.4390	0.520	26	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	123.3731	0.869	12	123.3731	0.755	12	123.4390	0.520	26	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	121.4020	0.000	1	122.5150	0.930	3	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	123.0715	0.037	2	122.5150	0.930	3	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	120.9430	0.000	1	120.9430	0.000	1	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	123.2000	0.000	1	123.9304	0.520	14	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	123.5180	0.052	2	123.9304	0.520	14	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	124.0227	0.596	7	123.9304	0.520	14	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,5|H<1>}	123.8980	1.157	3	123.9304	0.520	14	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	124.9360	0.000	1	123.9304	0.520	14	123.5285	1.214	18	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,2|H<1>,7|C<3>}	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	122.2890	1.915	2	122.2890	3.667	2	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.9440	0.000	1	122.9440	0.000	1	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	123.4930	0.305	3	123.4930	0.093	3	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,4|H<1>,5|C<3>}	123.0350	0.158	2	123.0387	0.013	3	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.0460	0.000	1	123.0387	0.013	3	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	122.8620	0.000	1	123.1320	0.146	2	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){3|H<1>,6|C<3>}	123.4020	0.000	1	123.1320	0.146	2	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	122.7140	0.000	1	122.7140	0.000	1	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|H<1>,6|C<3>}	123.8460	0.000	1	123.8460	0.000	1	123.0724	0.545	13	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,7|C<3>}	121.5615	0.217	2	121.5615	0.047	2	121.5615	0.047	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	122.7760	0.000	1	122.7760	0.000	1	122.7465	0.002	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6]C[6]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	122.7170	0.000	1	122.7170	0.000	1	122.7465	0.002	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	122.2090	0.000	1	122.2090	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	124.6030	0.000	1	124.6030	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|F<1>,1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	121.7140	0.000	1	121.7140	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	121.7830	0.000	1	121.7830	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	124.4470	0.000	1	122.8563	2.288	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	121.4360	0.000	1	122.8563	2.288	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	122.6860	0.000	1	122.8563	2.288	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	123.0840	0.000	1	124.0550	0.536	4	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	124.1580	0.243	2	124.0550	0.536	4	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	124.8200	0.000	1	124.0550	0.536	4	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){3|H<1>,5|C<3>}	120.8550	0.000	1	120.8550	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	121.1730	0.000	1	121.1730	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	121.1890	0.000	1	121.6050	0.551	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	121.8130	0.918	2	121.6050	0.551	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a])	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]N[6a]){1|C<4>,1|H<1>,7|C<3>}	125.0590	0.000	1	125.0590	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	123.8830	0.262	2	123.8830	0.068	2	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	122.7140	0.387	2	122.7140	0.150	2	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	125.5870	0.000	1	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	125.1800	0.905	2	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	123.9520	0.449	6	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	126.0790	0.000	1	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	123.6670	0.000	1	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,5|C<3>}	125.1477	1.666	3	124.6320	1.191	14	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	124.4800	0.042	2	124.4800	0.002	2	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	125.6940	0.000	1	125.1720	0.386	7	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	125.2267	0.922	3	125.1720	0.386	7	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	124.9825	0.408	2	125.1720	0.386	7	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	124.8650	0.000	1	125.1720	0.386	7	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|I<1>,2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	121.5140	0.000	1	121.5140	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	123.9440	0.000	1	122.7717	2.482	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	120.9810	0.000	1	122.7717	2.482	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|Si<4>,1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|H<1>,4|C<3>}	123.3900	0.000	1	122.7717	2.482	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	123.4660	0.000	1	122.1957	1.213	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|I<1>,1|N<3>,2|H<1>,6|C<3>}	121.5080	0.000	1	122.1957	1.213	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])2(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	121.6130	0.000	1	122.1957	1.213	3	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<4>,3|H<1>,4|C<3>}	123.0420	0.000	1	123.0420	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	122.4880	0.202	2	122.4880	0.041	2	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	126.3240	0.000	1	126.3240	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	126.4860	0.000	1	126.4860	0.000	1	123.7045	2.514	56	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:N[5]-3:	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2)	C[5a](N[5a]C[5a]N[5])(C[5a]C[5a]C)(C[6a]C[6a]2){4|C<3>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	123.7890	0.000	1	123.7890	0.000	1	123.7890	0.000	1	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[5a]-3:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|C<4>,5|C<3>}	122.6950	0.085	2	122.6950	0.007	2	122.6950	0.007	2	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|Ge<3>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|S<2>,2|C<4>,6|C<3>}	126.6693	0.836	4	126.8625	0.366	8	126.8625	0.366	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|Ge<3>,2|H<1>,6|C<3>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]Ge[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|Ge<3>,1|Te<3>,2|C<4>,6|C<3>}	127.0558	0.238	4	126.8625	0.366	8	126.8625	0.366	8	123.2053	2.800	244	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	123.9780	0.000	1	123.9780	0.000	1	124.7744	0.491	7	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH)	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5,5a]C[6a])(C[5a]C[5,5a]O)(CCHH){4|C<3>}	124.9072	0.664	6	124.9072	0.441	6	124.7744	0.491	7	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5,5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO)	C[5a](C[5,5a]C[5,5a,6a]C[5])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5,5a,6a]C[6a])(C[5a]C[5,5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a]C[5a,5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(CH3){4|C<3>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3)	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	122.5280	0.000	1	122.5280	0.000	1	122.5280	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|O<2>,3|C<3>}	120.9960	0.806	2	120.9960	0.650	2	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){4|C<3>}	122.5070	0.000	1	122.5070	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){4|C<3>}	122.6760	0.000	1	122.6760	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,3|C<3>}	122.3955	0.199	2	122.3955	0.039	2	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]C){4|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CCHH){1|C<4>,3|C<3>}	121.9390	0.000	1	121.9390	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	123.1565	1.002	2	123.1565	1.004	2	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CH3){4|C<3>}	123.1460	0.000	1	123.1460	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCCH){2|C<3>,2|H<1>}	124.8350	0.000	1	124.8350	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CH3){2|C<3>,2|H<1>}	124.3610	0.000	1	124.3610	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC3){1|F<1>,1|H<1>,2|C<3>}	126.4290	0.000	1	126.4290	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|H<1>,3|C<3>}	123.5210	0.000	1	123.5210	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]HH){1|H<1>,3|C<3>}	123.6370	0.000	1	123.6370	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	124.0223	0.779	3	124.0223	0.607	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|H<1>,3|C<3>}	126.8310	0.000	1	126.8310	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)(CC[6a]HH){2|C<3>,2|H<1>}	125.8610	0.000	1	125.8610	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]HH){1|C<4>,1|I<1>,2|C<3>}	121.4210	0.000	1	121.4210	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC3){1|N<3>,3|C<3>}	123.8490	0.000	1	123.8490	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(CCHH){1|C<4>,1|S<4>,2|C<3>}	121.1210	0.000	1	121.1210	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CCCH){1|S<2>,4|C<3>}	122.6340	0.000	1	122.6340	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CH3){1|S<2>,4|C<3>}	120.6830	0.000	1	120.6830	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){1|N<2>,4|C<3>}	121.9830	0.000	1	122.7475	1.288	4	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCCH){5|C<3>}	123.0023	1.242	3	122.7475	1.288	4	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CCHH){5|C<3>}	123.0092	1.387	20	123.0092	1.923	20	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[5a]HH){5|C<3>}	122.5180	0.000	1	122.5180	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]HH){5|C<3>}	121.6857	1.495	3	121.6857	2.235	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	122.5536	1.872	5	122.5536	3.505	5	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){3|C<3>}	123.4537	0.841	4	123.4537	0.707	4	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	121.8470	0.000	1	122.7933	0.803	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){3|C<3>}	123.2665	0.513	2	122.7933	0.803	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6]HH){3|C<3>}	120.7810	0.000	1	120.7810	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){3|C<3>}	122.8260	0.000	1	122.8260	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CCHH){3|C<3>}	121.6840	0.000	1	121.6840	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CH3){3|C<3>}	120.7950	0.000	1	120.7950	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH)	C[5a](C[5a]C[6a]O[5a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]O[5a]O)(CC[6a]HH){3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CH3){5|C<3>}	123.4960	0.000	1	123.4960	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]HH){1|C<4>,2|C<3>}	124.2820	0.000	1	124.2820	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|C<4>,2|C<3>}	122.3210	0.000	1	122.3210	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	124.9930	0.000	1	124.9930	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	126.8090	0.000	1	126.8090	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CH3){1|H<1>,2|C<3>}	125.0350	0.000	1	125.0350	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	126.1510	0.000	1	125.7675	0.135	4	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CH3){1|H<1>,2|C<3>}	125.6397	0.322	3	125.7675	0.135	4	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	128.2310	0.000	1	128.2310	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]N[6a]O)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|H<1>,2|C<3>}	123.3270	0.000	1	123.3270	0.000	1	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	122.8390	0.345	2	123.0633	0.211	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CCHH){1|N<3>,2|C<3>}	123.5120	0.000	1	123.0633	0.211	3	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	123.2650	0.000	1	122.8040	0.425	2	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CCHH){1|N<3>,2|C<3>}	122.3430	0.000	1	122.8040	0.425	2	123.1878	2.770	87	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]S){3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){4|C<3>}	125.6820	0.000	1	125.6820	0.000	1	124.6936	0.687	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	124.8510	0.795	2	124.8510	0.632	2	124.6936	0.687	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]S){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	124.3900	0.000	1	124.3900	0.000	1	124.6936	0.687	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]S){3|C<3>,3|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])2(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	123.6940	0.000	1	123.6940	0.000	1	124.6936	0.687	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|C<4>,6|C<3>}	122.2310	0.000	1	122.2310	0.000	1	122.2302	2.402	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]HH){2|C<3>,2|C<4>,3|H<1>}	124.5810	0.000	1	124.5810	0.000	1	122.2302	2.402	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	122.2450	0.000	1	121.4463	1.118	3	122.2302	2.402	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|H<1>,4|C<3>}	121.0470	1.131	2	121.4463	1.118	3	122.2302	2.402	5	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]S)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(SC[6a]OO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]F){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	119.4010	0.000	1	119.4010	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	119.5310	0.000	1	119.5310	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	121.7030	0.000	1	121.5583	0.511	3	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	121.4860	0.996	2	121.5583	0.511	3	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	121.9668	1.723	11	121.9668	2.969	11	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,1|H<1>,4|C<3>}	123.6450	0.000	1	121.6171	1.624	10	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	119.3440	0.000	1	121.6171	1.624	10	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	121.6096	0.964	5	121.6171	1.624	10	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	121.7113	0.892	3	121.6171	1.624	10	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	118.5620	0.000	1	118.3715	0.073	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	118.1810	0.000	1	118.3715	0.073	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	123.5210	0.000	1	123.5210	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	121.1930	0.000	1	121.1930	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[3])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[3]HH){1|C<4>,1|H<1>,4|C<3>}	119.5290	0.000	1	119.5290	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]HH){6|C<3>}	121.8475	0.661	2	121.8475	0.437	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCCH){1|H<1>,5|C<3>}	121.2390	0.000	1	121.2390	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){1|H<1>,5|C<3>}	121.0060	0.076	2	121.0060	0.006	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	121.4715	1.348	2	121.4715	1.818	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){5|C<3>}	121.6000	1.097	2	121.6000	1.204	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCHH){2|H<1>,4|C<3>}	119.0030	0.000	1	119.0030	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,1|P<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	121.2500	0.000	1	121.2500	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){2|H<1>,4|C<3>}	122.1990	1.203	3	122.1990	1.448	3	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,5|C<3>}	123.4130	0.000	1	123.5130	1.308	6	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	123.5330	1.278	5	123.5130	1.308	6	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,4|C<3>}	123.8440	0.000	1	123.8440	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,3|C<3>}	122.9030	0.550	2	122.9030	0.303	2	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	123.8176	0.335	5	123.8176	0.113	5	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	124.5080	0.000	1	124.5080	0.000	1	121.9444	2.778	60	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	119.5235	0.336	2	120.4163	2.448	3	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	122.2020	0.000	1	120.4163	2.448	3	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	124.3610	0.000	1	124.3610	0.000	1	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	124.7060	0.000	1	124.7060	0.000	1	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	124.6300	3.151	2	124.6300	9.928	2	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SCOO){2|H<1>,4|C<3>}	123.0160	0.000	1	123.0160	0.000	1	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	121.1260	0.000	1	121.1260	0.000	1	122.6353	5.905	9	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	126.0340	0.000	1	126.0340	0.000	1	125.3628	0.937	19	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	124.3750	0.000	1	125.2571	0.935	17	125.3628	0.937	19	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[6a]N[5]2){9|C<3>}	125.3123	0.971	16	125.2571	0.935	17	125.3628	0.937	19	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	126.4890	0.000	1	126.4890	0.000	1	125.3628	0.937	19	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,1|H<1>,4|C<3>}	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CH3){2|H<1>,4|C<3>}	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]2H){1|H<1>,2|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3)	C[5a](N[5a,6]C[5a,6]B[6])(C[6a]C[6a]2)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]O)(CH3){1|B<4>,3|C<3>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[5]C[5]N[5]H){1|S<4>,4|H<1>,6|C<3>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a])	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiC[6a]2N[5a]){2|H<1>,4|C<3>}	124.0645	0.508	2	124.0645	0.258	2	123.6135	0.522	6	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:Si-4:	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC)	C[5a](N[5a]C[5a,6a]Si)(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SiN[5a]CC){2|H<1>,4|C<3>}	123.3880	0.762	4	123.3880	0.581	4	123.6135	0.522	6	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	125.6150	0.000	1	125.6150	0.000	1	125.6150	0.000	1	123.0537	3.461	211	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	123.8420	0.281	2	123.8420	0.079	2	123.7933	0.030	4	123.6064	0.197	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C-4:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	123.7445	0.042	2	123.7445	0.002	2	123.7933	0.030	4	123.6064	0.197	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:4:2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	123.6064	0.197	5	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:B[5a]-4:B-4:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]B){2|F<1>,3|H<1>,4|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(B[5a]N[5a,6a]FF)(BF3){4|C<3>}	128.0800	0.000	1	128.0800	0.000	1	128.0800	0.000	1	128.0800	0.000	1	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	4:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	B[5a]-4:C[5a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H)	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]B[5a]H){3|H<1>,6|C<3>}	C[6a](C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a](B[5a]N[5a,6a]C[6a]2)(C[5a]C[5a,6a]C[6a])(H){8|C<3>}	125.4017	1.222	3	125.4017	1.493	3	125.4017	1.493	3	125.4017	1.493	3	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	126.3860	0.000	1	126.3860	0.000	1	124.7450	5.386	2	124.7450	5.386	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP2	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,7|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5]C[6a]C[5]N[5])(C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,9|C<3>}	123.1040	0.000	1	123.1040	0.000	1	124.7450	5.386	2	124.7450	5.386	2	123.6037	5.766	2310	128.8952	11.164	11508
727	643	813	0:SP2_SP2_SP3	C[5a,6]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C)	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]C[6a])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.2880	0.000	1	126.2880	0.000	1	126.2880	0.000	1	126.2880	0.000	1	126.2880	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6,6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	130.0470	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.1510	0.000	1	130.1510	0.000	1	130.1510	0.000	1	130.1510	0.000	1	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]C[5a,6a]S){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	128.3820	0.000	1	128.3820	0.000	1	128.3820	0.000	1	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	127.3910	0.000	1	127.3910	0.000	1	127.3910	0.000	1	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	126.7820	0.000	1	127.3113	0.702	3	127.3113	0.702	3	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	126.8750	0.000	1	127.3113	0.702	3	127.3113	0.702	3	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]S){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	128.2770	0.000	1	127.3113	0.702	3	127.3113	0.702	3	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	126.2210	0.000	1	126.2210	0.000	1	126.2210	0.000	1	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	131.2540	0.119	2	130.4584	0.895	5	130.4584	0.895	5	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,1|N<4>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	129.4440	0.221	2	130.4584	0.895	5	130.4584	0.895	5	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	130.8960	0.000	1	130.4584	0.895	5	130.4584	0.895	5	128.7473	3.416	11	128.8642	3.270	12	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]C[5])(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	130.2640	0.000	1	130.2640	0.000	1	130.2640	0.000	1	130.2640	0.000	1	131.3405	2.318	2	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5,5a]	3:3:3:	3:3:1:	4:3:3:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5])	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,5a](C[5,6]C[5,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]S[5]){1|C<4>,2|H<1>,5|C<3>}	132.4170	0.000	1	132.4170	0.000	1	132.4170	0.000	1	132.4170	0.000	1	131.3405	2.318	2	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,5a]	3:3:3:	3:3:1:	3:4:3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	128.9540	0.015	2	129.2673	0.302	3	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:S[6]-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO){1|H<1>,2|N<2>,4|C<3>}	129.0420	0.000	1	129.0420	0.000	1	129.0420	0.000	1	128.9540	0.015	2	129.2673	0.302	3	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	129.8940	0.000	1	129.8940	0.000	1	129.8940	0.000	1	129.8940	0.000	1	129.2673	0.302	3	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[3x6a]-4:C[5a,6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a,6a](B[3x6a]N[5a,6a,6a]C[5,6a,6a]C[6a])(C[5a,6a,6a]B[3x6a]C[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|N<3>,7|C<3>}	131.9490	0.000	1	131.9490	0.000	1	131.9490	0.000	1	131.9490	0.000	1	131.9490	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	130.0070	0.000	1	130.0070	0.000	1	130.0070	0.000	1	129.9285	0.012	2	129.9285	0.012	2	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,2|H<1>,6|C<3>}	129.8500	0.000	1	129.8500	0.000	1	129.8500	0.000	1	129.9285	0.012	2	129.9285	0.012	2	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	134.3800	0.000	1	134.3800	0.000	1	134.3800	0.000	1	132.4225	7.664	2	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	130.4650	0.000	1	130.4650	0.000	1	130.4650	0.000	1	132.4225	7.664	2	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	127.7490	0.000	1	127.7490	0.000	1	127.7490	0.000	1	127.7490	0.000	1	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	129.5710	0.000	1	129.5710	0.000	1	130.1545	0.681	2	129.7350	0.485	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,2|C<3>}	130.7380	0.000	1	130.7380	0.000	1	130.1545	0.681	2	129.7350	0.485	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	129.7350	0.485	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	129.1270	0.000	1	129.1270	0.000	1	129.1270	0.000	1	129.7350	0.485	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	130.2800	0.000	1	130.2800	0.000	1	130.4527	0.845	3	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	130.5390	1.283	2	130.5390	1.645	2	130.4527	0.845	3	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	129.4660	0.000	1	129.4660	0.000	1	129.4660	0.000	1	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(COO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	131.2670	0.000	1	131.2670	0.000	1	131.2670	0.000	1	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){1|H<1>,1|N<3>,4|C<3>}	131.0520	0.000	1	131.0520	0.000	1	130.2715	1.218	2	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|C<4>,1|H<1>,4|C<3>}	129.4910	0.000	1	129.4910	0.000	1	130.2715	1.218	2	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|Pt<4>,2|H<1>,6|C<3>}	127.6850	0.890	2	127.6850	0.791	2	127.6850	0.791	2	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.3260	0.000	1	129.3260	0.000	1	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|C<2>,2|H<1>,6|C<3>}	128.4370	0.389	2	128.7922	0.154	13	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){1|C<2>,1|N<3>,2|H<1>,6|C<3>}	128.4140	0.453	3	128.7922	0.154	13	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	128.8925	0.056	2	128.7922	0.154	13	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.0305	0.115	2	128.7922	0.154	13	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	129.0842	0.195	4	128.7922	0.154	13	128.8304	0.163	14	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){1|C<4>,1|H<1>,4|C<3>}	130.4590	0.000	1	130.1970	0.137	2	130.1970	0.137	2	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]2){2|H<1>,4|C<3>}	129.9350	0.000	1	130.1970	0.137	2	130.1970	0.137	2	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5]B[5]C[5])(C[5a]C[5a]H){3|H<1>,6|C<3>}	129.8880	0.000	1	129.8880	0.000	1	129.8880	0.000	1	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	128.2110	0.000	1	128.2110	0.000	1	128.2110	0.000	1	129.2638	1.043	27	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	132.6850	0.000	1	132.6850	0.000	1	132.6850	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)(SC[6a]OO){1|H<1>,3|C<3>}	131.5275	0.165	2	131.5275	0.027	2	131.5275	0.027	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	129.7520	0.000	1	129.7520	0.000	1	129.7520	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.0795	0.175	2	128.0902	0.040	4	128.0902	0.040	4	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.3130	0.000	1	128.0902	0.040	4	128.0902	0.040	4	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	127.8890	0.000	1	128.0902	0.040	4	128.0902	0.040	4	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.5860	0.000	1	130.5860	0.000	1	130.5860	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Co)(CHHP){1|C<4>,1|H<1>,2|C<3>}	131.9130	0.000	1	131.9130	0.000	1	130.7767	3.929	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]Ru)(CHHP){1|C<4>,1|H<1>,2|C<3>}	130.2085	2.433	2	130.2085	5.920	2	130.7767	3.929	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCCH){1|C<4>,1|H<1>,2|C<3>}	129.4070	0.000	1	129.4070	0.000	1	130.3814	1.309	5	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	129.0740	0.000	1	129.0740	0.000	1	130.3814	1.309	5	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.8580	0.000	1	131.8580	0.000	1	130.3814	1.309	5	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	130.7840	0.267	2	130.7840	0.071	2	130.3814	1.309	5	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(PC[6a]N[5a]O){2|H<1>,4|C<3>}	130.0590	0.000	1	130.0590	0.000	1	130.4443	0.111	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(PC[6a]2Rh){1|C<4>,1|H<1>,2|C<3>}	130.6370	0.000	2	130.6370	0.000	2	130.4443	0.111	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	130.8030	0.000	1	130.8030	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Br<1>,1|H<1>,2|C<3>}	130.6990	0.423	2	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	130.2630	0.000	1	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	130.3030	0.434	2	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	129.8710	0.000	1	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.7396	0.464	5	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.7078	0.787	5	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	130.3495	0.462	4	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|Cl<1>,1|H<1>,2|C<3>}	130.7320	0.000	1	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,1|S<2>,2|C<3>}	130.8350	0.000	1	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){2|C<3>,2|H<1>}	129.4010	0.000	1	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	130.3738	0.437	4	130.4902	0.291	27	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	130.8110	0.000	1	130.8110	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	131.5200	0.000	1	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	130.3680	0.816	2	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	130.1975	0.111	2	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	130.4690	0.000	1	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	130.1840	0.000	1	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	129.8338	0.696	5	130.2061	0.469	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>}	130.2490	0.000	1	130.0524	0.239	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	129.9870	0.000	1	130.0524	0.239	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	130.1775	0.228	8	130.0524	0.239	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(SC[6a]OO){1|H<1>,3|C<3>}	129.4865	1.207	2	130.0524	0.239	12	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)(SC[6a]OO){2|C<3>,2|H<1>}	130.6640	0.000	1	130.6640	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	129.3990	0.000	1	129.3990	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(SC[6a]OO){1|H<1>,3|C<3>}	129.4320	0.000	1	129.4320	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	129.3520	0.000	1	129.3520	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(SC[6a]OO){1|H<1>,2|C<3>}	132.1600	0.000	1	132.1600	0.000	1	130.3269	0.416	58	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	128.1655	0.120	2	128.1655	0.014	2	128.1655	0.014	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|Si<4>,1|H<1>,4|C<3>}	130.7610	0.000	1	130.7610	0.000	1	130.7610	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	128.0550	0.000	1	128.0550	0.000	1	128.1175	0.008	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	128.1800	0.000	1	128.1800	0.000	1	128.1175	0.008	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	129.8500	0.000	1	129.1265	1.047	2	129.1265	1.047	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:S-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	128.4030	0.000	1	129.1265	1.047	2	129.1265	1.047	2	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	126.3370	0.000	1	126.3370	0.000	1	126.3370	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	129.2510	0.000	1	129.2510	0.000	1	129.2510	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SCOO){1|H<1>,1|O<2>,5|C<3>}	129.6845	0.964	4	129.6845	0.929	4	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[5,6])(SNOO){2|C<4>,2|H<1>,3|C<3>}	129.0920	0.000	1	129.0920	0.000	1	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	129.6300	0.000	1	129.6300	0.000	1	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	130.2070	0.000	1	130.2070	0.000	1	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	127.5400	0.000	1	127.5400	0.000	1	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.2110	0.000	1	128.2110	0.000	1	129.2687	1.079	9	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	127.0930	0.000	1	127.0930	0.000	1	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	125.5090	0.000	1	125.5090	0.000	1	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	128.9497	0.399	3	128.9497	0.159	3	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	127.8820	0.000	1	127.8820	0.000	1	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,5|C<3>}	126.6330	0.000	1	127.8506	0.586	5	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CH3){1|H<1>,1|N<3>,4|C<3>}	128.1550	0.404	4	127.8506	0.586	5	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	127.2850	0.000	1	127.2850	0.000	1	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCHH){1|H<1>,1|N<3>,4|C<3>}	128.6510	0.000	1	128.6510	0.000	1	127.8863	1.107	13	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.4070	0.000	1	129.2285	0.436	8	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.7520	0.000	1	129.2285	0.436	8	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.8527	0.226	3	129.2285	0.436	8	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	128.7037	0.049	3	129.2285	0.436	8	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	128.2940	0.000	1	128.1712	0.470	4	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	129.0900	0.000	1	128.1712	0.470	4	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	127.6505	0.084	2	128.1712	0.470	4	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|H<1>,1|N<2>,4|C<3>}	129.2570	0.000	1	128.4110	1.431	2	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|C<4>,1|H<1>,4|C<3>}	127.5650	0.000	1	128.4110	1.431	2	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	128.4600	0.000	1	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	130.0495	0.240	2	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	127.3750	0.000	1	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	130.2320	0.000	1	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){2|H<1>,4|C<3>}	129.4492	0.440	14	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	126.3520	0.000	1	129.2404	0.942	20	129.0630	0.869	34	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[4]-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[4])(C[4]C[4]N[4]H){1|H<1>,1|N<2>,1|N<3>,3|C<4>,4|C<3>}	127.6870	0.000	1	127.6870	0.000	1	127.6870	0.000	1	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Li)(CCHH){1|C<4>,1|H<1>,2|C<3>}	128.1100	0.000	1	128.1100	0.000	1	127.5633	0.255	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Si[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(Si[5a]N[5a]Si)(CCHH){1|C<4>,1|H<1>,2|C<3>}	127.2900	0.250	2	127.2900	0.063	2	127.5633	0.255	3	129.5551	1.659	147	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a]RuO)(CHHP){1|C<4>,1|H<1>,2|C<3>}	130.4885	0.575	2	130.4885	0.330	2	130.4885	0.330	2	130.4885	0.330	2	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	130.3870	0.000	1	130.3870	0.000	1	130.3870	0.000	1	130.3870	0.000	1	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(N[5a]C[5a,6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	129.6225	0.317	2	129.6225	0.101	2	129.6225	0.101	2	129.0817	0.442	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|N<3>,4|C<3>}	128.5410	0.233	2	128.5410	0.054	2	128.5410	0.054	2	129.0817	0.442	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){1|H<1>,5|C<3>}	127.6240	0.000	1	127.6240	0.000	1	128.9987	1.418	3	129.9393	4.484	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CCO){1|H<1>,3|C<3>}	129.6860	0.033	2	129.6860	0.001	2	128.9987	1.418	3	129.9393	4.484	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCO){1|H<1>,1|N<3>,4|C<3>}	132.7610	0.000	1	132.7610	0.000	1	132.7610	0.000	1	129.9393	4.484	4	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C[6a])(N[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]HH){3|C<3>}	131.3790	0.000	1	131.3790	0.000	1	131.3790	0.000	1	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]C){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CCHH){4|C<3>}	130.1470	0.000	1	130.1470	0.000	1	130.1470	0.000	1	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]P){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(PCCO){1|H<1>,3|C<3>}	132.0005	0.878	2	132.0005	0.770	2	132.0005	0.770	2	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CH3){6|C<3>}	127.9750	0.000	1	127.9750	0.000	1	127.9750	0.000	1	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)2{1|N<2>,1|N<3>,1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|H<1>,1|N<2>,4|C<3>}	131.6870	0.000	1	131.6870	0.000	1	131.2445	0.392	2	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	130.8020	0.000	1	130.8020	0.000	1	131.2445	0.392	2	130.8559	2.193	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(H){1|C<4>,5|C<3>}	128.7540	0.000	1	128.7540	0.000	1	129.3987	0.479	3	129.3987	0.479	3	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CP[5]HH){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(H){2|C<4>,4|C<3>}	129.7210	0.578	2	129.7210	0.335	2	129.3987	0.479	3	129.3987	0.479	3	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(COO){1|C<4>,1|H<1>,4|C<3>}	128.3510	0.000	1	128.3510	0.000	1	128.3510	0.000	1	128.3510	0.000	1	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CCHH){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	126.1380	0.000	1	126.1380	0.000	1	126.5480	0.336	2	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:S-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(SCOO){1|C<4>,1|H<1>,4|C<3>}	126.9580	0.000	1	126.9580	0.000	1	126.5480	0.336	2	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[5,5a]-3:C-4:	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|C<4>,1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CC[6a]HH){1|S<4>,2|C<4>,3|C<3>}	132.9750	0.000	1	132.9750	0.000	1	132.9750	0.000	1	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(SiC3){1|C<4>,1|S<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	124.8630	0.000	1	124.8630	0.000	1	124.9545	3.023	4	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(SiC3){1|Se<2>,1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CCHH){2|Si<4>,4|C<3>}	123.7620	0.287	2	123.7620	0.082	2	124.9545	3.023	4	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[5a,6a]-3:C[5a,6a]-3:C-4:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Si){1|Si<4>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SiC3){1|B<3>,1|C<4>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CH3){1|Si<4>,1|H<1>,4|C<3>}	127.4310	0.000	1	127.4310	0.000	1	124.9545	3.023	4	126.5556	10.145	7	129.4863	2.249	210	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a,5a]	3:3:2:	3:3:3:	3:4:3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[5a,5a]-4:C[5a]-3:	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a])	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]B[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5a]N[5a,5a]N[5a])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]C[6a]O[5a]2)(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a,6]	3:2:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]N[5a,6]N[5a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	123.8460	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	4:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:	B[6,6a]-4:B[5a,6a]-3:C[5a]-3:	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>,4|N<3>}	C[6a](C[5a]N[5a,6a]N[5a])(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,1|N<3>,2|H<1>}	N[5a,6a](B[6,6a]N[6,6a]N[6]2)(B[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a]){1|B<3>,2|N<2>,7|C<3>}	124.9310	0.000	1	124.9310	0.000	1	124.9310	0.000	1	124.9310	0.000	1	124.9310	0.000	1	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|O<1>,2|C<3>}	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	117.5550	0.000	1	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|O<1>,2|C<3>}	118.1090	0.000	1	118.1090	0.000	1	119.5060	3.903	2	119.5060	3.903	2	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	120.9030	0.000	1	120.9030	0.000	1	119.5060	3.903	2	119.5060	3.903	2	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	121.4733	9.208	3	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(H){1|O<1>,5|C<3>}	118.4370	0.000	1	118.4370	0.000	1	119.9570	4.621	2	121.4733	9.208	3	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	121.4770	0.000	1	121.4770	0.000	1	119.9570	4.621	2	121.4733	9.208	3	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:P-3:N[5a]-2:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,1|P<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CCC){1|O<1>,5|C<3>}	120.6280	0.436	2	120.6280	0.190	2	120.9927	0.494	3	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(COO){1|H<1>,1|O<1>,2|C<3>}	121.7220	0.000	1	121.7220	0.000	1	120.9927	0.494	3	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(COO){1|C<4>,1|H<1>,4|C<3>}	123.7225	0.282	2	123.7225	0.080	2	122.8448	1.128	4	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CCN){1|H<1>,5|C<3>}	122.3000	0.000	1	122.3000	0.000	1	122.8448	1.128	4	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CNO){2|H<1>,4|C<3>}	121.6340	0.000	1	121.6340	0.000	1	122.8448	1.128	4	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]2){2|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]N[5a,6a]B[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|C<4>,6|C<3>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]2){2|C<4>,5|C<3>}	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a](N[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	121.6356	2.527	10	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	122.2080	0.000	1	122.5025	0.173	2	122.5025	0.173	2	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO)	C[5a](C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	122.7970	0.000	1	122.5025	0.173	2	122.5025	0.173	2	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<2>,5|C<3>}	122.1235	0.838	2	121.1640	1.472	4	121.5743	1.307	6	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){1|C<4>,5|C<3>}	120.2045	0.179	2	121.1640	1.472	4	121.5743	1.307	6	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CH3){6|C<3>}	122.1730	0.000	1	122.1730	0.000	1	121.5743	1.307	6	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]HH){1|H<1>,1|O<2>,4|C<3>}	122.6170	0.000	1	122.6170	0.000	1	121.5743	1.307	6	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	118.4320	0.198	2	118.4320	0.039	2	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	123.9525	0.866	2	123.7945	0.341	4	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	123.6365	0.415	2	123.7945	0.341	4	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	121.7810	0.000	1	121.7810	0.000	1	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,5|C<3>}	124.1890	0.000	1	124.1890	0.000	1	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){2|H<1>,4|C<3>}	122.9480	0.277	2	122.9480	0.077	2	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	125.6660	0.158	2	125.6660	0.025	2	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:S-4:	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(SC[6a]OO){1|H<1>,1|S<2>,4|C<3>}	123.0505	1.675	2	123.0505	2.806	2	122.9529	5.025	14	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	0:SP2_SP2_SP3	C[5a]	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C[6]-4:	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H)	C[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	126.0400	0.000	1	126.0400	0.000	1	126.0400	0.000	1	122.6883	4.171	23	122.0195	4.672	40	128.3348	9.737	276
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[3x6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(C[3x6a]C[6a,6a]2)(C[5,6a]C[6a]C[5]){1|N<2>,4|C<3>,5|H<1>}	C[3x6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2){1|H<1>,2|C<4>,5|C<3>}	N[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:B[6a,6a]-3:	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a,6a]N[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2)	C[5,6a,6a](C[5,6a,6a]N[5,6a,6a]C[6a,6a])(N[5,6a,6a]C[5,6a,6a]B[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|B<3>,1|H<1>,6|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a,6a]N[5,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2){1|B<3>,7|C<3>}	126.7220	0.099	2	126.7220	0.010	2	126.7220	0.010	2	126.2995	0.246	4	126.2995	0.246	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:B[6a,6a]-3:	C[5,6a,6a](N[5,6a,6a]C[5,6a,6a]B[6a,6a])2(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5,6a,6a]N[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])2	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2)	C[5,6a,6a](N[5,6a,6a]C[5,6a,6a]B[6a,6a])2(C[6a,6a]C[6a,6a]2){8|C<3>}	C[6a,6a](C[5,6a,6a]N[5,6a,6a]2)(C[6a,6a]C[6a,6a]C[6a])2{2|B<3>,2|H<1>,6|C<3>}	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2){1|B<3>,7|C<3>}	125.8770	0.119	2	125.8770	0.014	2	125.8770	0.014	2	126.2995	0.246	4	126.2995	0.246	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,3|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	122.5973	0.436	4	122.5973	0.190	4	123.0846	0.379	11	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	122.9360	0.040	2	122.9360	0.002	2	123.0846	0.379	11	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	124.0610	0.000	1	124.0610	0.000	1	123.0846	0.379	11	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	123.3030	0.610	3	123.4022	0.288	4	123.0846	0.379	11	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](C[5,6a]C[6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.7000	0.000	1	123.4022	0.288	4	123.0846	0.379	11	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[5a,6a]C[5])(C[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){4|C<3>,6|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]N[5,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]N[5,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]HH){3|H<1>,5|C<3>}	126.6200	0.000	1	126.6200	0.000	1	126.6200	0.000	1	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]N[5,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a,6a](N[5,6a]C[6a,6a]C[5])(N[5,6a]C[6a]C[5])(C[6a,6a]C[6a]2){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5,6a,6a]N[5,6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	123.4171	1.199	14	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:4:2:	C[6a,6a]-3:C[5,6a]-3:N[5,6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:B[6a]-4:S[5]-2:	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5])	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5])	C[5,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(N[5,6a]B[6a]S[5]){2|H<1>,5|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[6a]C[6a,6a]C[6a]2)(S[5]N[5]){8|C<3>}	125.3415	0.060	2	125.3415	0.004	2	125.3415	0.004	2	125.3415	0.004	2	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Ga[5,5]C[6a])(C[6a,6a]C[6a]2){2|Cl<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Ga[5])(C[6a,6a]C[6a]2){1|O<3>,3|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Ga<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.1440	0.000	1	123.1440	0.000	1	123.1440	0.000	1	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:In[5,5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[5,5]C[6a])(C[6a,6a]C[6a]2){2|I<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5,5]N[5,6]3II)(C[6a]C[6a]H){1|H<1>,8|C<3>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:In[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]In[5])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|O<2>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]Si[3x5]C[6a])(C[6a,6a]C[6a]2){2|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	123.9575	0.013	2	123.9575	0.000	2	123.9575	0.000	2	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){1|C<2>,3|F<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.7245	0.228	2	123.7245	0.052	2	123.7970	0.211	4	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){4|Cl<1>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	123.3400	0.000	1	123.3400	0.000	1	123.7970	0.211	4	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:6:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]C[6a]Si[5])(C[6a,6a]C[6a]2){2|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	124.3990	0.000	1	124.3990	0.000	1	123.7970	0.211	4	123.4147	0.455	10	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	6:3:3:	C[5,6,6a]-3:N[5,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	In[4,5,6]-6:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6,6a]C[6,6a]N[5,6])(N[5,6a]In[4,5,6]C[6a])(C[6a,6a]C[6a]2){1|Cl<1>,1|Se<3>,2|Se<2>,3|H<1>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	120.5700	0.000	1	120.5700	0.000	1	120.5700	0.000	1	121.2727	0.553	3	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	6:3:3:	N[5,6a]-3:C[5,6,6a]-3:C[6a,6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	In[3x4,5,3x6]-6:C[5,6a,6a]-3:C[6a]-3:	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	C[5,6a,6a](N[5,6a]In[3x4,5,3x6]C[6a])(C[5,6,6a]C[6,6a]N[5,6])(C[6a,6a]C[6a]2){1|Cl<1>,3|H<1>,3|S<3>,4|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6,6a]N[5,6a])(C[6a]C[6a]H)2{1|In<6>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){3|In<6>,1|H<1>,4|C<3>}	121.6240	0.604	2	121.6240	0.365	2	121.6240	0.365	2	121.2727	0.553	3	123.3272	1.492	29	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:N[5]-2:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5])	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]){1|O<1>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	119.9185	3.119	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:4:2:	C[6a,6a]-3:N[5,6a]-3:O[5]-2:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[3,5]-4:N[6a]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5])	C[6a,6a](C[5,6a]N[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[3,5]N[6a])(O[5]C[5]){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[5,6a]N[5,6a]O[5])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a,6a]O[5])(C[3,5]C[3]2C[5])(N[6a]C[6a]){1|O<1>,4|C<3>,4|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	119.9185	3.119	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	119.9185	3.119	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a,6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5,6a]-3:N[5]-3:	C[5,6a]-3:C[3x6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu)	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[6a]C[5])(N[5]C[5]Cu){1|O<1>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a]N[5,6a]N[5])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|Cu<5>,1|H<1>,2|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	119.9185	3.119	4	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]N[5,5a,6a]O[5])(C[6a]C[6a]H)(H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5])	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,4|C<3>}	C[6a](C[5,6a]N[5,5a,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5]){2|H<1>,4|C<3>}	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	116.9525	1.861	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,5a,6a]	3:4:3:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,5a,6a]C[5,6])(C[6a]C[6a]H)(H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a])	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6a](C[5,6a]N[5,5a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a]){2|H<1>,6|C<3>}	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	116.9525	1.861	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	118.8750	0.110	2	118.8750	0.012	2	118.6810	0.075	5	118.6810	0.075	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	118.5517	0.286	3	118.5517	0.082	3	118.6810	0.075	5	118.6810	0.075	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]N[5]Rh){2|C<3>,2|H<1>}	120.6730	0.000	1	120.6730	0.000	1	118.5785	2.460	4	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	118.3090	0.000	1	118.3090	0.000	1	118.5785	2.460	4	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	118.4580	0.000	1	118.4580	0.000	1	118.5785	2.460	4	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	116.8740	0.000	1	116.8740	0.000	1	118.5785	2.460	4	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]N[5]Rh){2|H<1>,4|C<3>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[5,6a]C)(H)	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[5,6a]C)(H){1|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]O[5])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	125.2580	0.000	1	125.2580	0.000	1	125.2580	0.000	1	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	123.3280	0.141	2	123.3280	0.020	2	123.3280	0.020	2	121.0503	7.026	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	120.7630	0.235	4	120.7630	0.055	4	120.5501	0.221	10	120.5501	0.221	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	120.6810	0.451	4	120.6810	0.203	4	120.5501	0.221	10	120.5501	0.221	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	119.9690	0.000	1	119.8625	0.023	2	120.5501	0.221	10	120.5501	0.221	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	119.7560	0.000	1	119.8625	0.023	2	120.5501	0.221	10	120.5501	0.221	10	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]O)(N[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(OC){1|H<1>,1|S<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	117.2990	0.000	2	117.2990	0.000	2	117.2990	0.000	2	117.2990	0.000	2	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){2|C<4>,5|C<3>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]S[5])(C[5]C[5]C){1|C<4>,1|H<1>,4|C<3>}	124.2655	0.716	2	124.2655	0.513	2	124.2655	0.513	2	124.2655	0.513	2	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:2:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){2|C<3>,2|H<1>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	119.2590	0.321	3	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	119.2740	0.000	1	119.5460	0.148	2	119.5460	0.148	2	119.2590	0.321	3	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:2:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<2>,2|H<1>}	119.8180	0.000	1	119.5460	0.148	2	119.5460	0.148	2	119.2590	0.321	3	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	119.9830	0.598	2	119.9830	0.358	2	120.5570	1.167	3	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.7050	0.000	1	121.7050	0.000	1	120.5570	1.167	3	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	118.4582	0.111	4	118.4582	0.012	4	118.3652	0.053	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	117.9930	0.000	1	117.9930	0.000	1	118.3652	0.053	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.9415	0.244	2	118.9415	0.060	2	119.3580	0.164	16	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.4175	0.392	14	119.4175	0.154	14	119.3580	0.164	16	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe){1|C<3>,1|C<4>,3|H<1>}	119.1540	0.000	1	119.1540	0.000	1	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	119.1995	0.237	2	119.1995	0.056	2	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	119.7518	1.366	5	119.7518	1.867	5	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){1|C<4>,2|C<3>,2|H<1>}	117.4805	0.958	2	117.4038	0.484	4	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){2|C<3>,3|H<1>}	117.3270	0.714	2	117.4038	0.484	4	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,1|C<4>,3|H<1>}	119.8705	0.012	2	119.8705	0.000	2	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	117.8177	0.334	3	117.8177	0.111	3	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]P)(C[5]N[5]Pd){2|C<3>,3|H<1>}	119.4730	0.000	1	119.4730	0.000	1	118.8108	1.624	18	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Pd){1|O<2>,2|H<1>,4|C<3>}	120.4610	0.000	1	120.4610	0.000	1	119.7558	0.786	4	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]Rh){1|C<4>,3|C<3>,3|H<1>}	119.5207	0.921	3	119.5207	0.848	3	119.7558	0.786	4	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:B[6a]-3:C[5]-3:	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	121.6490	0.000	1	121.6490	0.000	1	122.2595	0.745	2	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	122.8700	0.000	1	122.8700	0.000	1	122.2595	0.745	2	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(Cl){2|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	117.5740	0.369	2	117.5740	0.136	2	117.5740	0.136	2	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	120.8600	0.000	1	120.8600	0.000	1	120.9348	0.034	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.9070	0.000	1	120.8090	0.019	2	120.9348	0.034	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	120.7110	0.000	1	120.8090	0.019	2	120.9348	0.034	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.2090	0.000	1	121.2090	0.000	1	120.9348	0.034	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	120.9870	0.000	1	120.9870	0.000	1	120.9348	0.034	5	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|C<4>,2|C<3>,2|H<1>}	119.9940	0.000	1	119.9940	0.000	1	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	120.9070	0.000	1	120.9070	0.000	1	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	121.1410	0.000	1	121.1410	0.000	1	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|H<1>,2|C<3>,2|C<4>}	120.1500	0.000	1	120.1500	0.000	1	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	122.7910	0.000	1	122.7910	0.000	1	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	120.6905	0.078	2	120.9248	0.115	5	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	121.0810	0.368	3	120.9248	0.115	5	120.9607	0.605	10	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.2650	0.000	1	119.6496	1.782	67	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>}	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8085	0.230	2	121.8085	0.053	2	121.8085	0.053	2	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	121.7220	0.000	1	121.7220	0.000	1	121.5105	0.089	2	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	121.2990	0.000	1	121.2990	0.000	1	121.5105	0.089	2	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	121.1320	0.000	1	121.1320	0.000	1	121.1320	0.000	1	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[6a]-3:S[5]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	121.6850	0.382	8	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,3|C<3>,3|C<4>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	120.7508	0.321	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:1:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	120.5730	0.467	4	120.5730	0.218	4	120.5730	0.218	4	120.7508	0.321	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:2:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>,2|C<4>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]2)2{1|C<4>,3|H<1>,7|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.1494	0.819	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6,6a]H)(C[6a]C[6a]2)	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5,6a](C[6,6a]C[6,6a]N[6])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	119.4145	1.084	2	119.4145	1.175	2	119.4145	1.175	2	120.1494	0.819	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	121.0720	0.000	1	121.0720	0.000	1	120.7985	0.150	2	120.1494	0.819	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]Pd){1|C<4>,1|H<1>,4|C<3>}	120.5250	0.000	1	120.5250	0.000	1	120.7985	0.150	2	120.1494	0.819	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	121.1400	0.000	1	121.1400	0.000	1	121.1400	0.000	1	120.0790	3.797	4	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	121.3990	0.000	1	121.3990	0.000	1	120.9870	0.339	2	120.0790	3.797	4	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	120.5750	0.000	1	120.5750	0.000	1	120.9870	0.339	2	120.0790	3.797	4	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,3|C<4>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	120.0790	3.797	4	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,6]C[6a]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3)	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|C<4>,3|C<3>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.5370	0.651	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	120.0305	0.344	2	120.0305	0.119	2	120.0305	0.119	2	120.5370	0.651	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	N[5a,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5])	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[5,6a]N[5,6a]C[5])(CH3){1|B<3>,6|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(B[5]C[6a]C[5]){1|C<4>,1|N<3>,5|C<3>}	120.7370	0.000	1	120.7370	0.000	1	120.7370	0.000	1	120.5370	0.651	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:4:	3:3:3:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH)	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]C)(CCHH){5|C<3>}	N[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	120.5370	0.651	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:2:1:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:N[6a]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH)	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[6a]Cl)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	C[6a](C[5,6a]N[5,6a]C[5])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	117.5000	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:1:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]O[5])(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	121.8920	0.103	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5a,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	122.1170	0.000	1	122.1170	0.000	1	121.8710	0.135	4	121.8920	0.103	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5a,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	121.9305	0.450	2	121.9305	0.203	2	121.8710	0.135	4	121.8920	0.103	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	3:3:4:	N[5,6a]-3:C[6a]-3:C[5]-4:	N[5a,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.8710	0.135	4	121.8920	0.103	5	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:N[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2)	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	C[5,6a](C[6a]C[6a,6a]C[6a])(N[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:4:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,3|O<2>,4|C<4>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.2610	0.071	2	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	3:4:3:	3:3:1:	3:3:4:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,2|C<4>,2|O<2>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	121.2610	0.071	2	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5,6a]	C[6a]	N[5,6a]	4:3:3:	3:3:1:	3:4:3:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|H<1>}	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	120.1864	2.630	142	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	124.6005	0.040	2	124.6005	0.002	2	124.6005	0.002	2	124.6005	0.002	2	124.6005	0.002	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a])	C[6,6a,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6,6a]){8|C<3>}	C[6,6a,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){2|H<1>,7|C<3>}	N[5a,6](C[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,8|C<3>}	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	122.8030	0.000	1	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(O[6]C[6]){3|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:O[6]-2:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]O[6])(N[5a,6]N[5a]C[6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	125.1450	0.000	1	125.1450	0.000	1	125.1450	0.000	1	125.1450	0.000	1	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:N[5,6]-3:N[6a]-2:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[6,6a]N[5,6]N[6a])(N[5a,6]C[5a]B[6]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(N[5,6]C[5,6]C[5])(N[6a]C[6a]){1|B<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]C[5,6]CC)(C[5a]N[5a]H){2|N<2>,2|N<3>}	131.0710	0.000	1	131.0710	0.000	1	131.0710	0.000	1	131.0710	0.000	1	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H){1|B<4>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	123.0490	0.000	1	123.0490	0.000	1	124.3023	1.190	3	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|C<4>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	125.0400	0.000	1	124.9290	0.025	2	124.3023	1.190	3	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6a]B[6]){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	124.8180	0.000	1	124.9290	0.025	2	124.3023	1.190	3	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[5a,6a]C[6,6])(N[5a,6]C[5a,6a]B[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]2)(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<3>,7|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[6,6]FF){1|H<1>,6|C<3>}	123.4180	0.000	1	123.4180	0.000	1	123.4180	0.000	1	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){7|C<3>}	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)(C[6]C[6]HO){1|H<1>,3|C<3>}	126.0860	0.000	1	126.0860	0.000	1	126.0860	0.000	1	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]FF){1|H<1>,6|C<3>}	126.5100	0.000	1	126.5100	0.000	1	126.1398	0.075	4	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|H<1>,6|C<3>}	125.9370	0.000	1	125.9370	0.000	1	126.1398	0.075	4	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]CC){1|H<1>,6|C<3>}	125.9290	0.000	1	125.9290	0.000	1	126.1398	0.075	4	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6,6a]C[5,6]C[6a]){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]C[6a]2){10|C<3>,1|H<1>}	126.1830	0.000	1	126.1830	0.000	1	126.1398	0.075	4	125.1986	1.394	10	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5a,6,6a]-3:B[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[5,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[6]N[5,6]C[6a]2)(C[5a]C[5a]H){1|H<1>,8|C<3>}	126.4570	0.262	2	126.4570	0.068	2	126.4570	0.068	2	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2N[5a])(C[6]C[6]H){1|H<1>,8|C<3>}	122.8528	0.217	6	122.8528	0.047	6	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|Br<1>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.2140	0.000	1	124.2140	0.000	1	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|Cl<1>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.2290	0.000	1	124.2290	0.000	1	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.2520	0.363	2	124.2520	0.132	2	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[5a]2O[5a])(C[6]C[6]H){1|H<1>,2|S<2>,5|C<3>}	124.8070	0.211	2	124.8070	0.044	2	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]C){1|H<1>,7|C<3>}	124.8120	0.000	1	124.8120	0.000	1	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.5634	1.001	22	124.5634	1.002	22	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]O[5a]O)(C[6]C[6]H){1|H<1>,5|C<3>}	124.2265	0.213	2	124.2265	0.045	2	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(C[6,6a]C[6a]C[6])(N[5a,6]B[5a]C[6]){2|H<1>,2|I<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a]C[6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.0805	0.781	2	124.0805	0.611	2	124.2435	0.973	39	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[5a]O[6]C)(C[5a]C[5a]H){1|H<1>,5|C<3>}	124.3505	0.211	2	124.3505	0.045	2	124.3505	0.045	2	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]N[5,6]C)(C[5a]C[5a]H){1|H<1>,1|S<4>,5|C<3>}	125.7240	0.000	1	125.7240	0.000	1	125.7240	0.000	1	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.4297	0.234	3	124.4297	0.055	3	124.5330	0.079	4	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5,5a]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5,5a]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5,5a]C[5,6a]O[5a]O[5])(C[6]C[6]H){1|B<3>,1|H<1>,5|C<3>}	124.8430	0.000	1	124.8430	0.000	1	124.5330	0.079	4	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[5a,6]2O[5a])(C[6]C[6]H){1|H<1>,1|S<2>,6|C<3>}	124.2130	0.000	1	124.2130	0.000	1	124.3824	0.034	7	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:B[5a,6]-4:C[6]-3:	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6,6a]C[6a]C[6]){4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(B[5a,6]C[6,6a]2O[5a])(C[6]C[6]H){1|H<1>,7|C<3>}	124.4107	0.184	6	124.4107	0.034	6	124.3824	0.034	7	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	C[5a,6,6a](C[6,6a]C[6,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a]C[6]){1|Cl<1>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	126.2760	0.106	2	126.2760	0.011	2	126.2760	0.011	2	124.4596	0.993	57	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	125.8560	0.000	1	125.6577	0.030	3	125.8474	0.443	5	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	125.5585	0.022	2	125.6577	0.030	3	125.8474	0.443	5	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	126.9810	0.000	1	126.9810	0.000	1	125.8474	0.443	5	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6a]C[6])(N[5a,6]C[5a]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	125.2830	0.000	1	125.2830	0.000	1	125.8474	0.443	5	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	123.6940	0.000	1	123.6940	0.000	1	124.3837	1.324	3	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	123.7450	0.000	1	123.7450	0.000	1	124.3837	1.324	3	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	125.7120	0.000	1	125.7120	0.000	1	124.3837	1.324	3	125.2985	1.205	8	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:B[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]B[6]){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(B[6]N[5,6]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]N[5,6]O[5])(C[5a]C[5a]H){1|B<4>,1|H<1>,4|C<3>}	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	126.3390	1.299	3	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	126.8770	0.000	1	126.8770	0.000	1	126.8770	0.000	1	126.3390	1.299	3	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:Si[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6,6a](N[5a,6]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]Si[6]){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|Si<4>,2|H<1>,6|C<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	126.3390	1.299	3	124.7954	1.710	82	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.4280	0.129	2	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O)	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2	C[5a,6](N[5a,6,6]C[6,6,6a]C[5a,6])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6]C[6,6a]C[5a])2{8|C<3>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	117.4280	0.129	2	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	116.8510	0.000	1	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a,6a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	117.4150	0.000	1	117.4150	0.000	1	117.4150	0.000	1	116.9455	0.217	8	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	116.7884	0.468	5	116.8784	0.211	7	116.8784	0.211	7	116.9455	0.217	8	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	117.1035	0.499	2	116.8784	0.211	7	116.8784	0.211	7	116.9455	0.217	8	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<5>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	123.4295	0.752	2	123.4295	0.565	2	123.4295	0.565	2	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,3|C<3>,3|H<1>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	122.5395	1.023	2	122.5395	1.047	2	123.1253	1.878	6	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	124.3125	0.046	2	123.4183	2.438	4	123.1253	1.878	6	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ge<5>,1|H<1>,2|C<4>,3|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	122.5240	2.028	2	123.4183	2.438	4	123.1253	1.878	6	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	121.2560	1.293	2	121.2560	1.671	2	121.1923	1.370	4	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[5a,6]N[5a,6,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,3|C<3>,3|H<1>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	121.1285	1.556	2	121.1285	2.422	2	121.1923	1.370	4	122.5317	2.270	12	119.7820	9.065	24	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	116.9790	0.000	1	116.9790	0.000	1	116.9790	0.000	1	117.6973	0.717	6	117.6973	0.717	6	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	118.0857	0.119	3	118.0857	0.014	3	118.0857	0.014	3	117.6973	0.717	6	117.6973	0.717	6	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	116.3580	0.000	1	116.3580	0.000	1	116.3580	0.000	1	117.6973	0.717	6	117.6973	0.717	6	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[5a,6]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	118.5900	0.000	1	118.5900	0.000	1	118.5900	0.000	1	117.6973	0.717	6	117.6973	0.717	6	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]O){1|H<1>,5|C<3>}	118.8340	0.000	1	118.8340	0.000	1	118.8340	0.000	1	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|Pd<7>,1|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]Pd){1|H<1>,5|C<3>}	121.4500	0.000	1	121.4500	0.000	1	121.4500	0.000	1	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){8|C<3>}	120.2505	0.125	2	120.2505	0.016	2	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]H){2|H<1>,4|C<3>}	118.3130	0.000	1	118.3130	0.000	1	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,4|C<3>}	119.5087	0.135	3	119.7270	0.109	5	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]O){3|H<1>,4|C<3>}	120.0545	0.202	2	119.7270	0.109	5	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,7|C<3>}	119.9530	0.000	1	119.9530	0.000	1	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){1|H<1>,4|C<3>}	117.2190	0.000	1	117.2190	0.000	1	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]S[6]N){1|H<1>,4|C<3>}	122.9540	0.000	1	122.9540	0.000	1	119.7795	1.972	11	119.8353	1.947	13	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	120.6290	0.000	1	120.6290	0.000	1	120.1585	0.194	4	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|C<3>}	119.6620	0.000	1	119.6620	0.000	1	120.1585	0.194	4	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	119.9330	0.000	1	120.1715	0.114	2	120.1585	0.194	4	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]N[6]CC){1|H<1>,5|C<3>}	120.4100	0.000	1	120.1715	0.114	2	120.1585	0.194	4	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){2|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	121.2375	0.296	2	121.2375	0.088	2	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]CO){2|H<1>,5|C<3>}	120.1643	0.496	3	120.1643	0.246	3	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]N[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){2|H<1>,4|C<3>}	119.0168	0.211	4	119.0168	0.045	4	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5]N[6]H){1|Fe<10>,2|C<4>,2|H<1>,4|C<3>}	118.0600	0.000	1	118.0600	0.000	1	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[5a]N[6]H){1|S<2>,2|H<1>,5|C<3>}	118.9120	0.635	2	118.9120	0.403	2	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	119.2170	0.000	1	119.2170	0.000	1	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,5|C<3>}	118.8930	0.000	1	118.6495	0.269	11	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	118.6252	0.540	10	118.6495	0.269	11	119.1367	0.858	24	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	119.2694	0.859	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6]N[6]CC)(N[5a]N[5a]){1|H<1>,2|C<3>}	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	120.9010	0.000	1	120.9010	0.000	1	121.0113	0.026	3	121.0113	0.026	3	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[6,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[6,6]C[5a])(N[5a]C[5a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	121.0665	0.183	2	121.0665	0.034	2	121.0113	0.026	3	121.0113	0.026	3	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]N[6,6a]N[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	117.2330	0.000	1	117.2330	0.000	1	117.2330	0.000	1	119.9172	5.587	4	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	121.8935	0.368	2	121.8935	0.136	2	120.8120	3.577	3	119.9172	5.587	4	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	118.6490	0.000	1	118.6490	0.000	1	120.8120	3.577	3	119.9172	5.587	4	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:2:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	118.7510	0.055	2	118.7510	0.003	2	118.7510	0.003	2	118.7510	0.003	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|N<2>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C){2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,3|C<4>,4|C<3>}	117.9990	0.000	1	117.9990	0.000	1	118.2765	0.833	6	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){1|H<1>,2|C<4>,5|C<3>}	118.0425	0.894	4	118.0425	0.799	4	118.2765	0.833	6	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|F<1>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]N){2|F<1>,2|H<1>,4|C<3>}	119.4900	0.000	1	119.4900	0.000	1	118.2765	0.833	6	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a]){1|H<1>,8|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]){1|H<1>,1|I<1>,7|C<3>}	120.6443	0.815	3	120.6443	0.664	3	120.6443	0.664	3	119.1248	1.810	11	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,5a]-3:N[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6])	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5,5a]C[6,6a])(C[5a]C[5,5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	120.9060	0.000	1	120.9060	0.000	1	120.9060	0.000	1	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H){1|B<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	120.2700	0.000	1	120.2700	0.000	1	119.8503	0.382	3	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	119.1410	0.000	1	119.6405	0.499	2	119.8503	0.382	3	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF)	C[5a,6](C[6,6a]C[5a,6,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5a,6]C[5a,6a]N[5a,6])(C[6a]C[6a]H){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]C)(B[6]N[5a,6]FF){5|C<3>}	120.1400	0.000	1	119.6405	0.499	2	119.8503	0.382	3	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	116.6680	0.000	1	116.6680	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	118.3193	0.961	3	118.5202	0.740	5	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	118.8215	0.900	2	118.5202	0.740	5	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]2)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	117.4930	0.000	1	117.4930	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	118.0960	0.000	1	118.0960	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	118.9340	0.000	1	119.8267	0.603	3	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	120.2730	0.103	2	119.8267	0.603	3	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	118.9820	0.000	1	118.9820	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,3|H<1>}	119.3630	0.000	1	119.3630	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C)(C[6]C[6]HH){1|S<4>,2|C<3>,3|H<1>}	118.7920	0.000	1	118.7920	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|S<4>,3|H<1>,4|C<3>}	118.3350	0.000	1	118.3350	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]C[6])(C[5a]N[5a]N){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a]N[5a]C)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>}	118.6360	0.000	1	118.6360	0.000	1	118.6529	0.981	16	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	119.6430	0.000	1	118.1190	1.820	3	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	117.3570	0.396	2	118.1190	1.820	3	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	118.0525	0.634	2	118.0525	0.402	2	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH){3|H<1>,5|C<3>}	117.5580	0.000	1	117.5580	0.000	1	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O[6]H){2|C<4>,3|H<1>,4|C<3>}	115.9490	0.000	1	115.9490	0.000	1	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	117.2890	0.000	1	117.2890	0.000	1	117.6573	1.151	8	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	C[5a,6](C[6,6a]C[6a,6a]C[6,6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	118.4532	1.899	29	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	118.0500	0.000	1	118.0500	0.000	1	117.6555	0.311	2	117.6555	0.311	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	117.2610	0.000	1	117.2610	0.000	1	117.6555	0.311	2	117.6555	0.311	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,6|C<3>}	119.7760	0.000	1	119.4750	0.181	2	119.4750	0.181	2	119.4750	0.181	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(B[6]C[6a]2O[6])(C[5a]C[5a]C){2|C<4>,6|C<3>}	119.1740	0.000	1	119.4750	0.181	2	119.4750	0.181	2	119.4750	0.181	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	4:3:2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]B[5,6])(C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6]H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	118.8725	0.964	2	118.8725	0.929	2	118.8725	0.929	2	118.8725	0.929	2	119.1395	1.774	101	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6,6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	N[5a,6a](C[5a,6a,6a]C[6,6a,6a]C[5a,6a])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,2|H<1>,6|C<3>}	124.7460	0.000	1	124.7460	0.000	1	124.7460	0.000	1	124.7460	0.000	1	124.7460	0.000	1	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,7|C<3>}	127.8590	0.000	1	127.8590	0.000	1	127.8590	0.000	1	127.8590	0.000	1	125.8184	1.452	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[5a,6a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a]N[6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	125.6545	0.177	2	125.6545	0.032	2	125.6545	0.032	2	125.6545	0.032	2	125.8184	1.452	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	125.1740	0.000	1	125.1740	0.000	1	124.9620	0.090	2	124.9620	0.090	2	125.8184	1.452	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a,6a]C[5a]C[6a]){1|O<1>,3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	124.7500	0.000	1	124.7500	0.000	1	124.9620	0.090	2	124.9620	0.090	2	125.8184	1.452	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,8|C<3>}	C[6a,6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	117.9637	0.276	3	117.9637	0.076	3	117.9637	0.076	3	117.5500	0.392	5	117.5500	0.392	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a,6a]C[6,6a,6a]2)(C[5a,6]C[6,6a]C[5a]){8|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	117.5500	0.392	5	117.5500	0.392	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O)	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[6a,6a]C[6,6a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,8|C<3>}	C[6a,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a]O){1|H<1>,7|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[6,6a]C[5a]){8|C<3>}	117.1880	0.000	1	117.1880	0.000	1	117.1880	0.000	1	117.5500	0.392	5	117.5500	0.392	5	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(C[5a]N[5a]H){1|N<2>,3|C<3>}	117.3520	0.000	1	117.3520	0.000	1	117.3520	0.000	1	117.3520	0.000	1	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,4|C<3>}	118.5410	0.796	4	118.5410	0.633	4	118.5223	0.328	7	118.7254	0.611	8	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	118.4490	0.221	2	118.4973	0.031	3	118.5223	0.328	7	118.7254	0.611	8	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,2|C<3>}	118.5940	0.000	1	118.4973	0.031	3	118.5223	0.328	7	118.7254	0.611	8	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	118.7254	0.611	8	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	120.3370	0.000	1	120.3370	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	119.6210	0.000	1	119.6210	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.5700	0.000	1	118.5700	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){8|C<3>}	120.3950	0.000	1	120.3950	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){6|C<3>}	119.7360	0.000	1	119.7360	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	118.8540	0.000	1	119.0555	0.228	4	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|I<1>,6|C<3>}	118.4750	0.000	1	119.0555	0.228	4	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	119.4465	0.019	2	119.0555	0.228	4	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	117.8530	0.000	1	117.8530	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.4360	0.091	2	118.7673	0.724	4	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.0985	0.613	2	118.7673	0.724	4	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.0220	0.000	1	119.0220	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	118.3350	0.000	1	118.3350	0.000	1	119.0725	0.640	16	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,3|C<3>}	118.6100	0.000	1	118.6100	0.000	1	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	118.5660	0.000	1	118.8750	0.191	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.1840	0.000	1	118.8750	0.191	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.5230	0.000	1	119.5230	0.000	1	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]C){5|C<3>}	118.5475	0.614	2	118.5475	0.378	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	117.5010	0.078	2	117.5010	0.006	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	120.8360	0.000	1	120.7415	0.018	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	120.6470	0.000	1	120.7415	0.018	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	120.9450	0.157	2	120.9450	0.025	2	119.2794	1.697	12	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]N[5a,6a]C[5a])(N[5a]N[5a]){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[5a]C[6a]N[5a]){3|N<2>,4|C<3>}	121.0805	0.213	2	121.0805	0.045	2	121.0805	0.045	2	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[3x6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	118.8730	0.130	2	118.8730	0.017	2	118.8730	0.017	2	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	119.6780	0.000	1	119.0380	0.819	2	119.0380	0.819	2	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	118.3980	0.000	1	119.0380	0.819	2	119.0380	0.819	2	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,6|C<3>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.3298	1.066	38	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	117.7240	0.000	1	117.7240	0.000	1	118.7585	2.140	2	118.7585	2.140	2	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,1|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	119.7930	0.000	1	119.7930	0.000	1	118.7585	2.140	2	118.7585	2.140	2	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	118.6620	0.000	1	118.6620	0.000	1	117.9565	0.995	2	117.6623	0.757	3	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	117.2510	0.000	1	117.2510	0.000	1	117.9565	0.995	2	117.6623	0.757	3	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.0740	0.000	1	117.0740	0.000	1	117.0740	0.000	1	117.6623	0.757	3	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(N[6a]C[6a]){2|H<1>,5|C<3>}	116.0540	0.000	1	116.0540	0.000	1	116.0540	0.000	1	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,4|C<3>}	116.6810	0.000	1	116.6810	0.000	1	116.6680	0.000	2	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	116.6550	0.000	1	116.6550	0.000	1	116.6680	0.000	2	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	116.0310	0.000	1	116.0310	0.000	1	116.0310	0.000	1	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	118.3400	0.000	1	117.9480	0.158	7	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	118.1170	0.000	1	117.9480	0.158	7	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.2260	0.000	1	117.9480	0.158	7	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	118.0010	0.407	2	117.9480	0.158	7	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	117.4755	0.261	2	117.9480	0.158	7	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.9805	0.026	2	118.4500	0.845	3	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	117.3890	0.000	1	118.4500	0.845	3	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	118.4070	0.000	1	117.9975	0.335	2	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|I<1>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	117.5880	0.000	1	117.9975	0.335	2	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	115.8610	0.000	1	117.2442	1.045	4	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,1|P<4>,2|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	118.0900	0.000	1	117.2442	1.045	4	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	117.9380	0.000	1	117.2442	1.045	4	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	117.0880	0.000	1	117.2442	1.045	4	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	118.2685	0.658	2	118.2685	0.433	2	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	118.5860	0.374	3	118.8630	0.229	5	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	119.4510	0.000	1	118.8630	0.229	5	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	119.1060	0.000	1	118.8630	0.229	5	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	117.0620	0.000	1	117.0620	0.000	1	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	119.1410	0.000	1	119.1410	0.000	1	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	119.4780	0.000	1	119.2430	0.110	2	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|N<2>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	119.0080	0.000	1	119.2430	0.110	2	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	117.4260	0.000	1	117.4260	0.000	1	118.1920	0.689	29	117.9694	0.986	33	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	117.6350	0.000	1	117.6350	0.000	1	117.6350	0.000	1	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C){1|C<4>,1|H<1>,4|C<3>}	117.0870	0.000	1	117.0870	0.000	1	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.3820	0.000	1	117.6750	0.172	2	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){2|H<1>,7|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	117.9680	0.000	1	117.6750	0.172	2	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	116.3790	0.000	1	116.3790	0.000	1	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	119.9960	0.000	1	119.9960	0.000	1	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	119.0970	0.000	1	119.0970	0.000	1	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.2750	0.000	1	117.2750	0.000	1	117.8834	1.577	7	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|F<1>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|F<1>,5|C<3>}	119.1300	0.000	1	119.1300	0.000	1	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	119.4970	0.000	1	119.0580	0.385	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	118.6190	0.000	1	119.0580	0.385	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	118.9870	0.000	1	118.1767	0.493	3	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	117.7790	0.000	1	118.1767	0.493	3	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.7640	0.000	1	118.1767	0.493	3	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.0350	0.000	1	117.6415	0.736	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.2480	0.000	1	117.6415	0.736	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	116.1850	0.000	1	116.1850	0.000	1	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){3|H<1>,6|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.5850	0.000	1	118.5850	0.000	1	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.2520	0.000	1	119.0855	0.055	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.9190	0.000	1	119.0855	0.055	2	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	118.3510	0.000	1	118.3510	0.000	1	118.3347	0.891	13	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.7960	0.000	1	116.3595	0.381	2	116.3595	0.381	2	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	115.9230	0.000	1	116.3595	0.381	2	116.3595	0.381	2	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a]C){3|H<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	121.6230	0.091	2	121.6230	0.008	2	121.6230	0.008	2	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[3x6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(C[5a]C[5a,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,5a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,5a]H){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,3|H<1>,5|C<3>}	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	119.7140	0.208	4	119.7140	0.043	4	119.7140	0.043	4	118.5051	1.978	32	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	118.6195	1.580	119	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a])	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[5,6]C[6a]){2|H<1>,6|C<3>}	114.2030	0.000	1	114.2030	0.000	1	113.8840	0.204	2	113.8840	0.204	2	113.8840	0.204	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5,5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5])	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5,5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a,6a]C[5])(C[5,6a]C[6a]O[5]){2|H<1>,4|C<3>}	113.5650	0.000	1	113.5650	0.000	1	113.8840	0.204	2	113.8840	0.204	2	113.8840	0.204	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	114.3990	0.000	1	114.3990	0.000	1	114.3990	0.000	1	113.7875	0.748	2	113.7875	0.748	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a,6a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|C<3>,3|H<1>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.7875	0.748	2	113.7875	0.748	2	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	118.5820	0.000	1	119.0210	0.385	2	119.0210	0.385	2	118.5603	0.829	3	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	119.4600	0.000	1	119.0210	0.385	2	119.0210	0.385	2	118.5603	0.829	3	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[6,6a]C[5a])(C[5a,6a]C[5a]C[6a]){1|H<1>,7|C<3>}	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	118.5603	0.829	3	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,8|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	118.6490	0.000	1	118.6490	0.000	1	118.6490	0.000	1	117.9742	0.156	5	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6,6a]B[6,6,6a]C[5a,6])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])2(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	117.8055	0.134	4	117.8055	0.018	4	117.8055	0.018	4	117.9742	0.156	5	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(CH3){5|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.7015	0.385	2	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	119.7015	0.385	2	118.4955	0.772	10	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a,6a](C[5a,6a]C[5a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.1900	0.000	1	117.1900	0.000	1	117.1420	0.005	2	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.0940	0.000	1	117.0940	0.000	1	117.1420	0.005	2	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.8820	1.894	2	119.8820	3.586	2	119.8820	3.586	2	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|N<2>,2|H<1>,5|C<3>}	119.7950	0.000	1	119.7950	0.000	1	118.5875	2.916	2	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	117.3800	0.000	1	117.3800	0.000	1	118.5875	2.916	2	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	118.9630	0.321	2	118.9630	0.103	2	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.4600	0.000	1	117.6665	0.085	2	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	117.8730	0.000	1	117.6665	0.085	2	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	118.8480	0.000	1	118.8480	0.000	1	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.7340	0.358	3	117.7340	0.128	3	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.1060	0.000	1	117.7430	0.225	6	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.6390	0.562	4	117.7430	0.225	6	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	117.7960	0.000	1	117.7430	0.225	6	117.9834	0.382	14	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	118.2903	0.701	3	118.2903	0.492	3	118.2903	0.492	3	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	118.7600	0.174	4	118.7600	0.030	4	118.7600	0.030	4	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	118.4297	1.686	28	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	117.4110	0.000	1	117.4110	0.000	1	117.4110	0.000	1	117.2975	0.026	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:2:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a]){1|C<2>,1|H<1>,5|C<3>}	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	117.2975	0.026	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	116.1630	0.000	1	116.1630	0.000	1	116.0370	0.055	3	116.0370	0.055	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,5|C<3>}	115.9740	0.294	2	115.9740	0.087	2	116.0370	0.055	3	116.0370	0.055	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:3:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)2	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:4:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(CH3){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	118.4810	0.000	1	118.4810	0.000	1	119.4323	0.334	7	119.4323	0.334	7	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:4:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.1700	0.000	1	119.5908	0.190	6	119.4323	0.334	7	119.4323	0.334	7	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:4:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.6750	0.429	5	119.5908	0.190	6	119.4323	0.334	7	119.4323	0.334	7	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:Cl-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(Cl){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[3]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	117.7215	0.206	4	117.7215	0.043	4	117.7215	0.043	4	117.5155	0.077	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	117.4300	0.000	1	117.4300	0.000	1	117.2650	0.023	3	117.5155	0.077	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	117.1825	0.069	2	117.1825	0.005	2	117.2650	0.023	3	117.5155	0.077	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|N<2>,2|H<1>}	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.5155	0.077	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,3|C<3>}	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	118.6403	2.059	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N){1|H<1>,1|N<2>,4|C<3>}	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.6403	2.059	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(N[6]C[6]2){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	118.6403	2.059	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CCCH){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>}	118.0850	0.281	2	118.0850	0.079	2	118.2893	0.165	3	118.2893	0.165	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:2:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-2:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	118.6980	0.000	1	118.6980	0.000	1	118.2893	0.165	3	118.2893	0.165	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H){1|C<3>,1|C<4>,2|N<2>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	117.0990	0.000	1	117.3767	0.218	3	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.1150	0.000	1	117.3767	0.218	3	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|Cl<1>,2|H<1>,3|C<3>}	117.9160	0.000	1	117.3767	0.218	3	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>}	116.9910	0.000	1	116.9910	0.000	1	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	116.8750	0.000	1	116.8750	0.000	1	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>}	117.6650	0.000	1	117.6650	0.000	1	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>}	116.7400	0.000	1	118.7151	4.203	15	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,3|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>}	118.8561	2.051	14	118.7151	4.203	15	118.3041	3.428	21	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	118.4693	0.738	4	118.7482	0.367	9	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	118.8113	0.273	4	118.7482	0.367	9	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	119.6120	0.000	1	118.7482	0.367	9	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	117.6760	0.000	1	117.7545	0.012	2	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	117.8330	0.000	1	117.7545	0.012	2	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,2|C<3>,3|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a]){1|C<3>,1|H<1>}	118.0930	0.000	1	118.0930	0.000	1	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	118.8130	0.000	1	118.8130	0.000	1	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a]){1|C<3>,1|H<1>}	117.2940	0.000	1	117.2940	0.000	1	118.5281	0.520	15	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.2280	0.000	1	119.2967	0.005	3	119.2967	0.005	3	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	119.3310	0.054	2	119.2967	0.005	3	119.2967	0.005	3	118.5048	2.072	40	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:Cl-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.2690	0.000	1	118.2690	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	117.5950	0.000	1	117.5950	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	117.6960	0.000	1	117.6960	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.3530	0.000	1	119.3530	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.7510	0.000	1	118.7510	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.9980	0.000	1	118.9980	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	118.2810	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.4830	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	119.3090	0.256	3	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.0787	0.559	4	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	118.4540	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	118.9040	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	117.9900	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	118.3370	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	119.0551	0.393	7	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	118.8510	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	118.9690	0.000	1	118.7226	0.313	22	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	118.2585	0.161	2	118.2585	0.026	2	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|I<1>,2|H<1>,3|C<3>}	120.4720	1.857	4	120.4720	3.448	4	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	117.7755	0.907	2	118.4873	0.365	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	118.3547	0.585	3	118.4873	0.365	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.7150	0.446	8	118.4873	0.365	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,2|H<1>}	118.3330	0.000	1	118.4793	0.425	3	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	117.9130	0.000	1	118.4793	0.425	3	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	119.1920	0.000	1	118.4793	0.425	3	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	117.3720	0.000	1	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	116.9590	0.000	1	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.8760	0.000	1	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	119.5125	0.738	2	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	118.3595	0.043	2	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	118.5320	0.047	3	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.2130	0.000	1	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.0519	0.502	8	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	117.7760	0.103	2	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	117.9850	0.639	4	118.1467	0.432	25	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){2|C<3>,2|H<1>}	119.2490	0.000	1	119.2490	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	118.6510	0.000	1	118.5598	0.262	15	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.7635	0.871	4	118.5598	0.262	15	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.4692	0.355	10	118.5598	0.262	15	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	118.8520	0.000	1	118.4145	0.383	2	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	117.9770	0.000	1	118.4145	0.383	2	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	117.9070	0.000	1	117.9070	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	118.4480	0.000	1	118.4480	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	118.7180	0.000	1	118.3699	0.226	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	117.8170	0.484	3	118.3699	0.226	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.4917	0.411	6	118.3699	0.226	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	118.3160	0.000	1	118.3699	0.226	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.6870	0.257	2	118.3699	0.226	13	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.4090	0.394	6	118.4090	0.156	6	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	117.4380	0.000	1	117.4380	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	119.0835	0.633	2	119.0835	0.401	2	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.6590	0.000	1	118.7570	0.225	4	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	118.2610	0.000	1	118.7570	0.225	4	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.4020	0.000	1	118.7570	0.225	4	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.7060	0.000	1	118.7570	0.225	4	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.2370	0.615	3	118.2370	0.378	3	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	118.2150	0.000	1	118.2150	0.000	1	118.5124	0.548	125	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	121.1235	0.289	2	121.1235	0.084	2	121.1235	0.084	2	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	119.4910	0.000	1	119.4910	0.000	1	119.4910	0.000	1	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,4|C<3>}	119.5215	0.459	4	119.5215	0.210	4	119.3085	0.799	11	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	118.3303	0.226	4	118.3303	0.051	4	119.3085	0.799	11	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){2|H<1>,3|C<3>}	120.3290	0.192	3	120.3290	0.037	3	119.3085	0.799	11	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	119.0110	0.000	1	118.9173	0.492	3	118.9173	0.492	3	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	118.8705	0.985	2	118.9173	0.492	3	118.9173	0.492	3	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	124.3170	0.308	2	124.3170	0.095	2	124.3170	0.095	2	118.6824	1.151	146	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	117.6545	0.226	2	117.8752	0.114	8	118.1583	0.760	10	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	117.9488	0.351	6	117.8752	0.114	8	118.1583	0.760	10	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	120.4820	0.000	1	120.4820	0.000	1	118.1583	0.760	10	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	118.0990	0.000	1	118.0990	0.000	1	118.1583	0.760	10	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	118.9745	0.101	2	118.9745	0.010	2	118.9745	0.010	2	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(OC){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	118.3935	0.234	2	118.3935	0.055	2	118.3325	0.142	4	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	118.2715	0.596	2	118.2715	0.355	2	118.3325	0.142	4	118.3039	0.559	16	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	117.7420	0.871	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	116.9830	0.226	2	116.9830	0.051	2	116.9830	0.051	2	117.7420	0.871	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	117.7420	0.871	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>}	118.0140	0.000	1	118.0140	0.000	1	118.7483	2.490	6	118.7483	2.490	6	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|N<3>}	119.6608	0.166	4	119.6608	0.028	4	118.7483	2.490	6	118.7483	2.490	6	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:2:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|N<3>}	115.8330	0.000	1	115.8330	0.000	1	118.7483	2.490	6	118.7483	2.490	6	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]H){2|N<2>,2|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	119.7140	0.000	1	119.7140	0.000	1	119.7140	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,2|C<3>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]Cl)(C[5a]C[5a]2){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(N[6a]C[6a]){5|C<3>}	117.8620	0.000	1	117.8620	0.000	1	117.8620	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	118.3960	0.000	1	118.3820	0.000	2	118.3820	0.000	2	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	118.3680	0.000	1	118.3820	0.000	2	118.3820	0.000	2	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,2|N<2>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	119.1047	0.745	8	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|H<1>,5|C<3>}	119.9575	0.095	2	119.9575	0.009	2	119.9575	0.009	2	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]C){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.9610	0.000	1	118.9610	0.000	1	118.8314	0.276	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	118.4210	0.518	2	118.4210	0.268	2	118.8314	0.276	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	118.8270	0.000	1	119.1770	0.245	2	118.8314	0.276	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	119.5270	0.000	1	119.1770	0.245	2	118.8314	0.276	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	119.5297	0.320	3	119.3618	0.337	5	119.3618	0.337	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	119.1100	0.964	2	119.3618	0.337	5	119.3618	0.337	5	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH){1|N<2>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.3882	0.652	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	119.4130	0.817	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CC[5a]HN){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	119.9830	0.000	1	119.9830	0.000	1	119.9340	0.005	2	119.4130	0.817	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CHOO){2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.9340	0.005	2	119.4130	0.817	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.3650	0.000	1	119.6973	0.317	3	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.8635	0.684	2	119.6973	0.317	3	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	119.4745	0.346	2	119.4745	0.120	2	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.8475	0.009	2	118.8475	0.000	2	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	119.9760	0.000	1	119.9760	0.000	1	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	118.6805	0.375	2	118.6805	0.141	2	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|N<3>,1|O<1>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(CHHO){1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	117.3950	0.000	1	117.3950	0.000	1	119.1335	0.639	11	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:2:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a,6a]-3:C[6a]-3:C[3]-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[3])(S[5a]C[5a,6a])	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[3])(S[5a]C[5a,6a]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C){2|C<4>,3|C<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	123.9720	0.000	1	123.9720	0.000	1	123.9720	0.000	1	119.5367	2.532	12	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	118.4290	0.000	1	118.4290	0.000	1	118.6350	0.225	5	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	119.0170	0.235	2	119.0170	0.055	2	118.6350	0.225	5	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|I<1>,1|N<2>,2|C<3>,3|H<1>}	117.9350	0.000	1	117.9350	0.000	1	118.6350	0.225	5	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	118.7770	0.000	1	118.7770	0.000	1	118.6350	0.225	5	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.8100	0.000	1	119.5100	0.180	2	119.5100	0.180	2	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	119.2100	0.000	1	119.5100	0.180	2	119.5100	0.180	2	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	121.5405	0.771	2	121.5405	0.595	2	121.1760	0.376	4	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:O[6a]-2:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	120.8115	0.042	2	120.8115	0.002	2	121.1760	0.376	4	119.7181	1.666	11	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC)	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[5a,6a])(OC){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.4260	2.231	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	116.4260	2.231	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(OC){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	117.6530	0.000	1	117.6530	0.000	1	117.6530	0.000	1	116.4260	2.231	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	116.6010	0.000	1	116.6010	0.000	1	116.6010	0.000	1	118.2455	5.409	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	119.8900	0.000	1	119.8900	0.000	1	119.8900	0.000	1	118.2455	5.409	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a,6])(C[6a]C[6a]N[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>,3|C<4>}	117.8990	0.516	2	117.8990	0.266	2	117.8990	0.266	2	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	117.8240	0.000	1	117.8240	0.000	1	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>,3|H<1>}	119.1710	0.000	1	119.1710	0.000	1	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	117.9290	0.000	1	117.7453	0.020	7	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>,3|N<2>}	117.7835	0.168	2	117.7453	0.020	7	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,3|C<3>,3|H<1>}	117.6803	0.114	4	117.7453	0.020	7	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	118.0290	0.000	1	118.0290	0.000	1	117.9241	0.213	10	117.8928	0.192	13	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CCHH){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.0590	0.000	1	118.0590	0.000	1	118.0425	0.001	2	118.0425	0.001	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:2:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]C){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CH3){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.0260	0.000	1	118.0260	0.000	1	118.0425	0.001	2	118.0425	0.001	2	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:2:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|F<1>,2|C<3>,2|H<1>}	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.2470	0.000	1	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	119.7885	0.202	2	119.7885	0.041	2	119.8313	0.026	3	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.9170	0.000	1	119.9170	0.000	1	119.8313	0.026	3	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	117.0050	0.000	1	117.0050	0.000	1	116.7705	0.110	2	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,3|H<1>}	116.5360	0.000	1	116.5360	0.000	1	116.7705	0.110	2	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	118.2210	0.000	1	118.2210	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	118.0380	0.321	3	118.0380	0.103	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	117.9780	0.000	1	117.9780	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	118.5620	0.000	1	118.5620	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.6120	0.000	1	117.6737	0.661	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	117.2360	0.000	1	117.6737	0.661	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	117.1730	0.000	1	117.6737	0.661	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	117.1820	0.000	1	117.1820	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	118.0460	0.526	2	117.4425	0.598	4	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	116.8390	0.243	2	117.4425	0.598	4	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	119.1240	0.000	1	119.1240	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	117.2560	0.000	1	117.2560	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	118.1370	0.000	1	118.1093	0.137	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	118.0955	0.523	2	118.1093	0.137	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	116.4860	0.000	1	116.4860	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	118.5170	0.000	2	118.5170	0.000	2	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	118.2620	0.000	1	118.2620	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.2247	0.315	3	118.2247	0.099	3	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.4980	0.000	1	118.4980	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.0350	0.000	1	119.0350	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	119.9140	0.000	1	119.9140	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	118.3215	0.081	2	118.3215	0.007	2	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	118.1970	0.000	1	118.1970	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	118.3450	0.252	2	118.3450	0.063	2	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	119.0120	0.000	1	119.0120	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	118.5815	0.858	2	118.5815	0.736	2	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	120.8320	0.000	1	120.8320	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	119.8880	0.000	1	119.8880	0.000	1	118.2534	0.746	39	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	119.0380	0.000	1	119.0380	0.000	1	118.9684	0.178	8	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	118.9584	0.455	7	118.9584	0.207	7	118.9684	0.178	8	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	117.7930	0.393	3	117.7930	0.155	3	117.7930	0.155	3	118.3645	0.851	55	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.2840	0.000	1	118.2840	0.000	1	118.2245	0.007	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	118.1650	0.000	1	118.1650	0.000	1	118.2245	0.007	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	120.4150	0.109	2	120.4150	0.012	2	120.4150	0.012	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7127	0.126	4	119.7127	0.016	4	119.4393	0.190	6	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.8925	0.088	2	118.8925	0.008	2	119.4393	0.190	6	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	119.1030	0.000	1	119.1030	0.000	1	119.4365	0.222	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	119.7700	0.000	1	119.7700	0.000	1	119.4365	0.222	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.2775	0.202	2	121.2775	0.041	2	121.0387	0.108	4	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8000	0.235	2	120.8000	0.055	2	121.0387	0.108	4	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	118.4220	0.000	1	118.4220	0.000	1	118.1655	0.132	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.9090	0.000	1	117.9090	0.000	1	118.1655	0.132	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	116.2887	0.449	3	116.2887	0.202	3	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.3510	0.000	1	117.3510	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	116.1850	0.000	1	116.1850	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|C<4>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	116.2010	0.000	1	116.2010	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){4|H<1>,5|C<3>}	116.4100	0.000	1	116.4100	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	117.0957	0.384	4	117.4112	0.608	5	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	118.6730	0.000	1	117.4112	0.608	5	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	116.1630	0.000	1	116.1630	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	117.0280	0.000	1	117.0280	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	116.9975	0.323	2	116.9975	0.104	2	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	118.4230	0.000	1	118.4230	0.000	1	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	118.2897	0.266	3	118.2897	0.071	3	117.1683	0.766	21	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|Br<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	117.9990	0.000	1	117.9990	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.9050	0.000	1	117.9050	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.3650	0.000	1	118.5235	0.050	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	118.6820	0.000	1	118.5235	0.050	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.3820	0.000	1	117.3820	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	117.4400	0.139	2	117.4400	0.019	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	118.9010	0.000	1	118.2277	0.448	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	117.8910	0.464	2	118.2277	0.448	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	118.2290	0.000	1	118.6801	0.294	14	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.1255	0.211	2	118.6801	0.294	14	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.6174	0.623	5	118.6801	0.294	14	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	119.0516	0.416	5	118.6801	0.294	14	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.6960	0.000	1	118.6801	0.294	14	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	117.8830	0.000	1	117.8830	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	118.8377	0.338	3	118.5484	0.191	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	117.8130	0.000	1	118.5484	0.191	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.3385	0.400	2	118.5484	0.191	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	118.5760	0.000	1	118.5484	0.191	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	118.8080	0.000	1	118.5484	0.191	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.8260	0.000	1	117.0317	0.485	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	116.6345	0.156	2	117.0317	0.485	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	117.5340	0.000	1	117.5340	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	117.6700	0.000	1	117.6700	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	119.8808	0.234	5	119.8808	0.055	5	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	120.1750	0.000	1	120.1750	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9570	0.615	2	119.8620	3.786	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.6720	0.000	1	119.8620	3.786	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.6790	0.000	1	117.6790	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	117.1910	0.000	1	117.1910	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	119.0420	0.156	2	119.0420	0.024	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	118.4185	0.132	2	118.4185	0.017	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	116.7320	0.000	1	116.7320	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	118.1940	0.074	2	118.1418	0.260	6	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	118.1157	0.655	4	118.1418	0.260	6	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.8170	0.000	1	118.8170	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	117.6955	0.598	2	117.5157	0.276	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	117.1560	0.000	1	117.5157	0.276	3	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	117.3100	0.000	1	117.3100	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	116.8295	0.074	2	116.8295	0.006	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|S<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	115.8500	0.000	1	115.8500	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	116.7750	0.000	1	116.7750	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	117.4370	0.000	1	117.4370	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	118.7330	0.408	4	118.7330	0.166	4	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	117.3310	0.000	1	117.3310	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	119.0540	0.000	1	119.0540	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	119.7150	0.000	1	119.7150	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	118.1420	0.000	1	118.1420	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	119.7140	0.000	1	119.7140	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	119.0520	0.000	1	118.4595	0.219	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.2258	0.470	4	118.4595	0.219	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	118.7790	0.000	1	118.4595	0.219	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.4710	0.444	2	118.4595	0.219	8	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.7760	0.000	1	118.7760	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	119.1530	0.612	2	119.1530	0.375	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	118.6930	0.000	1	119.0680	0.281	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	119.4430	0.000	1	119.0680	0.281	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	120.3190	0.000	1	120.3190	0.000	1	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	119.1445	0.186	2	119.1445	0.035	2	118.4336	0.937	96	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	120.5160	0.000	1	120.5160	0.000	1	120.7305	0.092	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.9450	0.000	1	120.9450	0.000	1	120.7305	0.092	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	121.4310	0.478	2	121.4310	0.228	2	121.3947	0.118	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.3220	0.000	1	121.3220	0.000	1	121.3947	0.118	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,3|C<3>,3|H<1>}	120.2220	0.000	1	120.2220	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	120.2510	0.000	1	119.5110	1.095	2	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	118.7710	0.000	1	119.5110	1.095	2	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,2|H<1>,6|C<3>}	120.1080	0.000	1	120.1080	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	118.1880	0.000	1	118.1880	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	119.6250	0.000	1	119.6250	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	118.4380	0.000	1	118.4380	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|H<1>,4|C<3>}	120.4280	0.000	1	120.1300	1.244	3	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){3|C<3>,4|H<1>}	119.9810	1.534	2	120.1300	1.244	3	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>,3|H<1>}	120.6540	1.131	2	120.6540	1.280	2	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,2|H<1>,5|C<3>}	118.9990	0.000	1	118.9990	0.000	1	119.7154	1.010	13	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5a,6a]O){1|O<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	119.5630	0.000	1	119.5630	0.000	1	119.5630	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]O){1|C<4>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.3830	0.000	1	121.3830	0.000	1	121.6690	0.288	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	122.2880	0.000	1	121.8120	0.453	2	121.6690	0.288	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.3360	0.000	1	121.8120	0.453	2	121.6690	0.288	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|Br<1>,1|C<2>,1|C<3>,2|H<1>}	118.3490	0.421	2	118.3490	0.178	2	118.3490	0.178	2	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5,6a]O)(C[5a]C[5a]H){2|Br<1>,1|C<3>,1|C<4>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]N)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.2357	0.283	4	121.2357	0.080	4	121.2357	0.080	4	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	123.2640	0.000	1	123.2640	0.000	1	123.2640	0.000	1	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	121.0680	0.000	1	121.0680	0.000	1	121.0437	0.405	12	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	120.4650	0.000	2	120.4650	0.000	2	121.0437	0.405	12	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	121.0247	0.639	7	121.0247	0.408	7	121.0437	0.405	12	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.6765	0.730	2	121.6765	0.534	2	121.0437	0.405	12	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.6960	0.000	1	121.6960	0.000	1	121.1977	0.283	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.9485	0.439	2	120.9485	0.193	2	121.1977	0.283	3	118.9730	2.282	183	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:B[5a]-4:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(B[5a]N[5a,6a]Cl2){2|H<1>,5|C<3>}	121.7965	0.659	4	121.7965	0.435	4	121.7965	0.435	4	121.3913	0.657	6	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:B[5a]-4:	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	120.5810	0.098	2	120.5810	0.010	2	120.5810	0.010	2	121.3913	0.657	6	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	124.8620	0.000	1	124.8620	0.000	1	124.8620	0.000	1	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.6715	0.168	2	121.3565	0.144	4	121.4972	0.404	22	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.0415	0.076	2	121.3565	0.144	4	121.4972	0.404	22	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.7750	0.439	10	121.7750	0.193	10	121.4972	0.404	22	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.5940	0.243	4	121.5940	0.059	4	121.4972	0.404	22	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	120.8468	1.090	4	120.8468	1.189	4	121.4972	0.404	22	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H)	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>,2|O<1>}	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	126.6770	0.105	2	126.6770	0.011	2	126.6770	0.011	2	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|N<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	115.7400	0.000	1	115.7400	0.000	1	117.6665	7.423	2	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	117.6665	7.423	2	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	121.4460	0.261	3	121.4460	0.068	3	121.5270	0.037	6	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	121.6050	0.081	2	121.6050	0.006	2	121.5270	0.037	6	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	121.6140	0.000	1	121.6140	0.000	1	121.5270	0.037	6	121.6994	3.317	34	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	124.1865	0.356	2	123.4203	0.504	6	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	123.0373	0.459	4	123.4203	0.504	6	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	123.1995	0.026	2	123.1995	0.001	2	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	122.4510	0.472	2	122.4697	0.186	6	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	122.8935	0.128	2	122.4697	0.186	6	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	122.0645	0.053	2	122.4697	0.186	6	122.9814	0.483	14	122.9814	0.483	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	118.3217	0.179	3	118.3217	0.032	3	118.3217	0.032	3	118.3217	0.032	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(OH){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	117.8555	0.278	2	117.8555	0.077	2	117.8555	0.077	2	118.2205	0.203	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]N[6a])(C[5a]C[5a]H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[5a]C[5a]S[5a])(N[6a]C[5a,6a]){2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.5855	0.018	2	118.5855	0.000	2	118.5855	0.000	2	118.2205	0.203	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	118.8317	32.179	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	118.8317	32.179	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:2:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H){1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	124.2980	0.000	1	124.2980	0.000	1	124.2980	0.000	1	118.8317	32.179	3	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,7|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.7060	0.000	1	121.7060	0.000	1	121.0205	0.940	2	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[5a,6a](C[6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	120.3350	0.000	1	120.3350	0.000	1	121.0205	0.940	2	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.3430	0.115	2	116.3430	0.013	2	116.1580	0.137	5	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	115.5470	0.000	1	115.5470	0.000	1	116.1580	0.137	5	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.0970	0.000	1	116.0970	0.000	1	116.1580	0.137	5	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	116.4600	0.000	1	116.4600	0.000	1	116.1580	0.137	5	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|I<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	116.1620	0.000	1	116.1620	0.000	1	117.1227	0.752	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	118.1950	0.000	1	118.1950	0.000	1	117.1227	0.752	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.0670	0.421	2	117.0670	0.178	2	117.1227	0.752	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){2|H<1>,6|C<3>}	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO){5|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	118.5570	0.000	1	118.5570	0.000	1	118.4587	0.097	3	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	118.4095	0.424	2	118.4095	0.179	2	118.4587	0.097	3	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	118.6490	0.734	2	118.6490	0.539	2	118.6490	0.539	2	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	116.9340	0.000	1	117.0120	0.012	2	117.0120	0.012	2	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	117.0900	0.000	1	117.0120	0.012	2	117.0120	0.012	2	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|I<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	117.9835	0.535	2	117.9835	0.287	2	118.5973	1.457	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]S)(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]2){1|S<4>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]S)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	118.0760	0.000	1	118.0760	0.000	1	118.5973	1.457	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){3|H<1>,6|C<3>}	120.3460	0.000	1	120.3460	0.000	1	118.5973	1.457	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	118.7603	0.249	3	118.7603	0.062	3	118.9737	0.224	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|I<1>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){3|H<1>,4|C<3>}	119.6140	0.000	1	119.6140	0.000	1	118.9737	0.224	4	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS){1|H<1>,4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>,3|H<1>}	117.7310	0.000	1	117.7310	0.000	1	117.7310	0.000	1	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H){1|O<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	121.5030	0.000	1	121.5030	0.000	1	121.5030	0.000	1	118.1483	2.624	31	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){2|C<3>,2|C<4>}	114.7634	0.624	5	114.7634	0.390	5	115.1293	0.705	7	115.7922	2.261	9	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a])	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(N[6a]C[6a]){1|C<3>,3|C<4>}	116.0440	0.574	2	116.0440	0.330	2	115.1293	0.705	7	115.7922	2.261	9	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CC[6a]HH){2|N<2>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	118.1125	0.120	2	118.1125	0.014	2	118.1125	0.014	2	115.7922	2.261	9	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	118.3560	0.000	1	118.3560	0.000	1	119.5420	0.684	4	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CCHH){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.0915	0.187	2	120.0915	0.035	2	119.5420	0.684	4	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CH3){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	119.6290	0.000	1	119.6290	0.000	1	119.5420	0.684	4	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHHN){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	118.1780	0.240	4	118.1780	0.058	4	118.7728	0.919	6	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CCHH){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	119.6680	0.000	1	119.6680	0.000	1	118.7728	0.919	6	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C)(CH3){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a]){1|C<4>,2|H<1>,5|C<3>}	120.2570	0.000	1	120.2570	0.000	1	118.7728	0.919	6	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5,6a]-3:C-4:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]N[5,6a]C){1|B<3>,1|C<4>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]B[5])(CH3){1|B<3>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[5a]C[6a])(C[6a]C[5,6a]C){1|C<4>,1|N<3>,5|C<3>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:Si-4:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]Si)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	119.3036	1.149	14	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:4:3:	3:3:1:	3:3:3:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O){2|O<2>,3|C<3>,3|H<1>}	118.3490	0.148	2	118.3490	0.022	2	118.3490	0.022	2	118.3715	0.015	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP2	C[5a,6a]	C[6a]	N[5a,6a]	3:4:3:	3:3:1:	3:3:3:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O){2|F<1>,3|C<3>,3|H<1>}	118.3940	0.143	2	118.3940	0.020	2	118.3940	0.020	2	118.3715	0.015	4	118.8995	2.808	697	119.5891	5.596	1240
727	643	813	6:SP2_SP2_SP3	C[5a,6,6a]	C[6,6,6a]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-4:	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC)	C[5a,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6a]C[6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	N[5a,6](C[5a,6,6a]C[6,6,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6]CC){2|C<4>,2|H<1>,4|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	122.4610	0.000	1	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:N[5a,6]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[6a]-2:	C[5a,6,6a]-3:C[5a,6a]-3:S[6]-4:	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO)	C[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(N[5a,6]C[5a,6a]S[6]){1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(S[6]C[6,6a]OO){1|H<1>,2|N<2>,4|C<3>}	127.1480	0.000	1	127.1480	0.000	1	127.1480	0.000	1	127.1480	0.000	1	126.1703	0.788	3	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H)	C[5a,6,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5,6]C[5a])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[5]O[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	125.4140	0.000	1	125.4140	0.000	1	125.4140	0.000	1	125.4140	0.000	1	126.1703	0.788	3	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6,6a]	C[6,6a]	N[5a,6]	3:3:3:	3:4:3:	3:3:3:	N[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6,6a](N[5a,6]C[6,6a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	125.9490	0.000	1	125.9490	0.000	1	125.9490	0.000	1	125.9490	0.000	1	126.1703	0.788	3	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6]	C[6,6a]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6]O){3|C<4>,5|C<3>}	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	117.3660	0.000	1	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6a]	3:2:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2){1|N<3>,2|H<1>,5|C<3>}	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	119.2545	3.659	2	122.4067	15.502	7
727	643	813	6:SP2_SP2_SP3	C[5a,6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	119.2545	3.659	2	122.4067	15.502	7