818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,5]	3:4:3:	3:3:3:	3:2:2:2:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|O<2>}	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	125.6140	0.000	1	125.6140	0.000	1	125.6140	0.000	1	125.6140	0.000	1	124.1094	6.427	9	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,5]	3:4:3:	3:3:3:	3:3:3:3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	B[5,5](C[5]C[6a]C[5])4	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	B[5,5](C[5]C[6a]C[5])4{12|C<3>}	123.4251	2.418	7	123.4251	5.846	7	123.4251	5.846	7	123.4251	5.846	7	124.1094	6.427	9	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,5]	4:3:2:	3:3:3:	3:3:2:2:	B[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:O[5]-2:O[5]-2:	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2	C[5](B[5,5]N[5]O[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|Mg<4>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	B[5,5](C[5]C[6a]N[5])(N[5]C[5]Mg)(O[5]C[5])2{3|C<3>,4|C<4>}	127.3950	0.000	1	127.3950	0.000	1	127.3950	0.000	1	127.3950	0.000	1	124.1094	6.427	9	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,6,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	O[5,6]-3:O[5,6]-3:O[5,6,6]-3:C[5]-3:	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5])	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|H<1>,3|O<3>}	B[5,6,6](O[5,6]B[5,6]B[5])2(O[5,6,6]B[5,6]2)(C[5]C[6a]C[5]){5|Cl<1>,1|O<2>,1|O<3>,8|C<3>}	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	130.3545	24.598	4	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,6,6]	4:3:3:	3:3:3:	3:3:4:4:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6,6]-4:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>,4|H<1>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	B[5,6,6](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)2{10|H<1>,2|C<4>,4|C<3>}	132.2375	0.706	2	132.2375	0.499	2	132.2375	0.499	2	132.2375	0.499	2	130.3545	24.598	4	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,6,6]	4:3:3:	3:3:3:	3:4:4:2:	B[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5])	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	133.9080	0.000	1	133.9080	0.000	1	133.9080	0.000	1	133.9080	0.000	1	130.3545	24.598	4	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:1:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	O[5,6,6]-3:O[5,6]-3:C[5]-3:Cl-1:	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	B[5,6](O[5,6,6]B[5,6,6]B[5,6])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){2|Cl<1>,1|O<2>,2|O<3>,6|C<3>}	123.3650	0.000	1	123.3650	0.000	1	123.3650	0.000	1	123.0715	0.172	2	123.0715	0.172	2	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:1:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	O[5,6]-3:O[5,6]-3:C[5]-3:Cl-1:	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	B[5,6](O[5,6]B[5,6,6]B[5])(O[5,6]B[5,6]B[5])(C[5]C[6a]C[5])(Cl){3|Cl<1>,2|O<3>,6|C<3>}	122.7780	0.000	1	122.7780	0.000	1	122.7780	0.000	1	123.0715	0.172	2	123.0715	0.172	2	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	3:3:4:	3:3:3:	3:3:3:1:	C[5]-3:C[6a]-3:B[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]N[5]2)(H){2|C<4>,8|C<3>}	127.8840	0.914	2	127.8840	0.835	2	127.8840	0.835	2	127.8840	0.835	2	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	3:4:3:	3:3:3:	3:3:1:1:	C[5]-3:B[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	O[5,6]-3:C[5]-3:Cl-1:Cl-1:	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|Cl<1>,1|B<3>,1|O<3>,2|C<3>,2|H<1>}	B[5](O[5,6]B[5,6,6]B[5,6])(C[5]C[6a]C[5])(Cl)2{1|O<2>,2|O<3>,4|C<3>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:1:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N[6]-3:Cl-1:	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)(Cl){2|H<1>,8|C<3>}	124.2370	0.915	2	124.2370	0.837	2	124.2370	0.837	2	124.0830	0.607	6	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:1:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){1|C<4>,2|H<1>,7|C<3>}	123.6067	0.327	3	124.0060	0.709	4	124.0060	0.709	4	124.0830	0.607	6	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:1:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:Cl-1:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(Cl){3|H<1>,7|C<3>}	125.2040	0.000	1	124.0060	0.709	4	124.0060	0.709	4	124.0830	0.607	6	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:2:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:C-2:	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|F<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CO){2|F<1>,8|C<3>}	125.4205	1.996	2	125.4205	3.985	2	125.4205	3.985	2	125.4125	1.459	4	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:2:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-2:	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(OP){2|H<1>,8|C<3>}	125.4045	0.626	2	125.4045	0.392	2	125.4045	0.392	2	125.4125	1.459	4	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{2|F<1>,6|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>}	130.4060	0.000	1	130.4060	0.000	1	129.5440	1.486	2	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:C[6a]-3:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|H<1>,2|F<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>}	128.6820	0.000	1	128.6820	0.000	1	129.5440	1.486	2	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N[6]-3:N[6]-3:	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	B[5](C[5]C[6a]C[5])2(N[6]C[6]2)2{10|C<3>,4|H<1>}	124.6510	0.000	1	124.6510	0.000	1	124.6510	0.000	1	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:C[5]-3:N[6]-3:	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	B[5](C[5a]C[5a]S[5a])(C[5]C[6a]C[5])2(N[6]C[6]2){10|C<3>,3|H<1>}	125.5545	0.551	2	125.5545	0.303	2	125.5545	0.303	2	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C)	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|S<2>,2|F<1>,4|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(C[5]S[5]C){1|C<4>,4|F<1>,6|C<3>}	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-3:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|O<3>,2|F<1>,3|C<3>}	B[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]C){3|H<1>,4|F<1>,6|C<3>}	126.6340	0.000	1	126.6340	0.000	1	126.6340	0.000	1	126.0389	9.444	7	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:4:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:P-4:	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	B[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(PC[6a]HH){2|H<1>,8|C<3>}	126.4540	0.247	2	126.4540	0.061	2	126.4540	0.061	2	125.7163	1.663	3	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:4:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:C-4:	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	125.7163	1.663	3	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:4:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-4:N[6]-3:	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[5](C[5]C[6a]C[5])2(C[5]C[5]2Mn)(N[6]C[6]2){2|C<4>,4|H<1>,8|C<3>}	126.2955	1.583	2	126.2955	2.507	2	126.2955	2.507	2	126.2955	2.507	2	125.3885	4.538	26	125.4792	9.065	41
818	643	786	0:SP2_SP2_SP3	C[5]	C[6a]	B[5]	4:3:3:	3:3:3:	4:3:3:2:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:C-2:	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2){2|F<1>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|C<3>,2|F<1>,3|C<4>}	B[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|H<1>,2|C<4>,2|F<1>,6|C<3>}	124.5890	0.000	1	124.5890	0.000	1	124.5890	0.000	1	124.5890	0.000	1	125.3885	4.538	26	125.4792	9.065	41
818	643	786	6:SP2_SP2_SP3	C[5,6]	C[6,6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5])	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O)	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5]){10|C<3>,1|H<1>,1|O<1>}	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	B[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)(N[5]P[5]O){1|Si<4>,2|F<1>,9|C<3>}	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]D){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{1|D<1>,2|C<3>,2|H<1>,2|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	129.0000	0.000	1	129.0000	0.000	1	128.9375	0.008	2	128.9375	0.008	2	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:2:	N[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H)	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	C[5](N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(N[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5a]N[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	128.8750	0.000	1	128.8750	0.000	1	128.9375	0.008	2	128.9375	0.008	2	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<4>,3|C<3>}	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	124.2537	5.128	8	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[5,5a](C[5,5a]N[5a,6]S[5])(C[5]C[6a]C[5])(C[5a]C[5a,6]N){2|C<3>,3|C<4>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	124.2537	5.128	8	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,5a](C[5a,6]C[5a,6]C[6])(N[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|O<1>,1|W<6>,2|C<3>,2|C<4>,3|H<1>}	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	124.2537	5.128	8	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	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[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,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>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	124.2537	5.128	8	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	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[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	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>}	125.3328	0.735	4	125.3328	0.540	4	125.3328	0.540	4	124.2537	5.128	8	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:4:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:B[5a]-4:C[5]-3:	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5])	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	N[5,5a](N[5,5a]C[5a,6a]C[5])(B[5a]C[5a,6a]CC)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	124.7438	0.802	4	124.7438	0.643	4	124.7438	0.643	4	124.7438	0.643	4	125.0629	5.654	14	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	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]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C)	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]C[5]C){3|H<1>,4|C<3>}	C[6a](C[5]N[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	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>}	125.8281	0.479	14	125.8281	0.229	14	125.8281	0.229	14	125.8281	0.229	14	125.1410	2.933	17	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|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>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	121.9347	3.248	3	125.1410	2.933	17	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){4|C<3>,4|H<1>}	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	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>}	123.9210	0.000	1	123.9210	0.000	1	122.7000	2.982	2	121.9347	3.248	3	125.1410	2.933	17	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP2	C[5]	C[6a]	N[5,6a]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,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){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	121.4790	0.000	1	121.4790	0.000	1	122.7000	2.982	2	121.9347	3.248	3	125.1410	2.933	17	125.1057	4.016	31
818	643	813	0:SP2_SP2_SP3	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]C){1|Cr<6>,1|O<1>,2|C<3>,2|H<1>}	125.2770	0.000	1	125.2770	0.000	1	124.9755	0.182	2	124.9755	0.182	2	124.9755	0.182	2	124.9755	0.182	2
818	643	813	0:SP2_SP2_SP3	C[5]	C[6a]	N[5,5a]	3:3:3:	3:3:3:	3:3:3:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[5,5a](N[5,5a]C[5a]C[5])(C[5]C[6a]C[5])(C[5a]C[5a]O){1|Cr<6>,1|C<4>,2|C<3>,2|H<1>}	124.6740	0.000	1	124.6740	0.000	1	124.9755	0.182	2	124.9755	0.182	2	124.9755	0.182	2	124.9755	0.182	2
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,5]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(N[5,6]C[5]C[6]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6])(C[5,5]C[5]2)(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	135.2190	0.000	1	135.2190	0.000	1	135.2190	0.000	1	135.2190	0.000	1	133.8055	3.996	2	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,5]-3:C[5,6]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	132.3920	0.000	1	132.3920	0.000	1	132.3920	0.000	1	132.3920	0.000	1	133.8055	3.996	2	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	135.9405	0.275	2	136.0533	0.424	6	136.0533	0.424	6	136.0533	0.424	6	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	136.1098	0.818	4	136.0533	0.424	6	136.0533	0.424	6	136.0533	0.424	6	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	131.8310	0.000	1	131.8310	0.000	1	131.8310	0.000	1	131.8310	0.000	1	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	131.0090	0.000	1	131.0165	0.000	2	131.9002	0.729	6	131.9002	0.729	6	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	131.0240	0.000	1	131.0165	0.000	2	131.9002	0.729	6	131.9002	0.729	6	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	132.3420	0.659	4	132.3420	0.434	4	131.9002	0.729	6	131.9002	0.729	6	133.8117	5.147	13	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O){1|N<2>,2|C<3>,2|C<4>}	129.2930	0.000	1	129.2930	0.000	1	129.2930	0.000	1	129.8977	0.427	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O)	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])(O){2|C<4>,3|C<3>}	130.2000	0.553	2	130.2000	0.306	2	130.2000	0.306	2	129.8977	0.427	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	126.6000	0.000	1	126.6000	0.000	1	128.3940	6.437	2	130.8270	12.705	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	130.1880	0.000	1	130.1880	0.000	1	128.3940	6.437	2	130.8270	12.705	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H){4|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]N[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	135.2600	0.000	1	135.2600	0.000	1	135.2600	0.000	1	130.8270	12.705	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]C[5]O){1|N<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|N<1>,3|C<3>}	131.2600	0.000	1	131.2600	0.000	1	131.2600	0.000	1	130.8270	12.705	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5,6a]-3:N-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(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>}	C[5](C[5,6]C[6,6a]N[5,6])(N[5,6a]C[5,6a]C[6a])(NC){1|C<4>,1|H<1>,4|C<3>}	133.2820	0.000	1	133.2820	0.000	1	133.2820	0.000	1	133.2820	0.000	1	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.6410	0.000	1	129.6410	0.000	1	131.2910	5.445	2	132.0895	2.693	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	132.9410	0.000	1	132.9410	0.000	1	131.2910	5.445	2	132.0895	2.693	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	132.8880	0.287	2	132.8880	0.082	2	132.8880	0.082	2	132.0895	2.693	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(N[5]C[5]H)(CCHH){1|C<4>,3|C<3>}	135.2270	0.000	1	135.2270	0.000	1	135.2270	0.000	1	135.2270	0.000	1	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	133.2045	0.013	2	133.2045	0.000	2	133.2045	0.000	2	132.6513	0.932	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6]C[5]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	132.9840	0.000	1	132.9840	0.000	1	132.9840	0.000	1	132.6513	0.932	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]CH)(H){1|H<1>,1|S<4>,3|C<3>}	131.2120	0.000	1	131.2120	0.000	1	131.2120	0.000	1	132.6513	0.932	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C){4|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)(COO){1|H<1>,4|C<3>}	135.2600	0.000	1	135.2600	0.000	1	135.2600	0.000	1	135.2600	0.000	1	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]C[5]H)(CC[6a]CH){1|S<4>,2|H<1>,4|C<3>}	133.8520	0.000	1	133.8520	0.000	1	133.8520	0.000	1	133.8520	0.000	1	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	131.8880	0.000	1	131.8880	0.000	1	131.8880	0.000	1	131.0977	0.689	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	131.2090	0.000	1	130.8343	0.617	3	130.8343	0.617	3	131.0977	0.689	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]H)(O){2|C<4>,3|C<3>}	130.6470	1.011	2	130.8343	0.617	3	130.8343	0.617	3	131.0977	0.689	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|O<2>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.7690	0.000	1	131.7690	0.000	1	131.7690	0.000	1	130.7275	2.169	2	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:S[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	129.6860	0.000	1	129.6860	0.000	1	129.6860	0.000	1	130.7275	2.169	2	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	132.9130	0.000	1	132.9130	0.000	1	132.9130	0.000	1	131.5673	2.043	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	130.0670	0.000	1	130.0670	0.000	1	130.0670	0.000	1	131.5673	2.043	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	131.7220	0.000	1	131.7220	0.000	1	131.7220	0.000	1	131.5673	2.043	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	132.5890	0.000	1	132.5890	0.000	1	132.3667	0.067	3	131.4811	1.920	8	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	132.0820	0.000	1	132.2555	0.060	2	132.3667	0.067	3	131.4811	1.920	8	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	132.4290	0.000	1	132.2555	0.060	2	132.3667	0.067	3	131.4811	1.920	8	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C-4:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3)	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[6]N[5]H)(C[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	133.5730	0.000	1	133.5730	0.000	1	133.5730	0.000	1	131.4811	1.920	8	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:Si-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]Si){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<4>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(SiC3){1|C<4>,2|C<3>,3|H<1>}	130.2940	0.560	4	130.2940	0.314	4	130.2940	0.314	4	131.4811	1.920	8	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[3,5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){1|C<4>,3|C<3>,3|H<1>}	130.9900	0.000	1	131.0840	0.023	3	131.0840	0.023	3	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[3,5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5]C[6]H)(C[5]C[3,5]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[3,5]C[3,5]C[3]H)(H){2|C<3>,2|H<1>,3|C<4>}	131.1310	0.178	2	131.0840	0.023	3	131.0840	0.023	3	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	129.6660	0.000	1	130.3110	0.832	2	130.3110	0.832	2	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5,6]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	130.9560	0.000	1	130.3110	0.832	2	130.3110	0.832	2	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	129.6180	0.000	1	129.6180	0.000	1	130.2490	5.237	4	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	131.7500	0.000	1	131.7500	0.000	1	130.2490	5.237	4	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]H){1|S<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	127.2960	0.000	1	127.2960	0.000	1	130.2490	5.237	4	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]C)(C[5]C[5]H){1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5]H)(H){1|C<4>,6|C<3>}	132.3320	0.000	1	132.3320	0.000	1	130.2490	5.237	4	130.5411	2.240	9	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	133.0770	0.000	1	132.6055	0.134	4	132.3262	0.491	5	132.3262	0.491	5	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	132.3780	0.000	1	132.6055	0.134	4	132.3262	0.491	5	132.3262	0.491	5	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	132.4835	0.315	2	132.6055	0.134	4	132.3262	0.491	5	132.3262	0.491	5	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	131.2090	0.000	1	131.2090	0.000	1	132.3262	0.491	5	132.3262	0.491	5	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	130.5715	0.050	2	130.5715	0.003	2	130.5715	0.003	2	130.4240	0.067	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	130.1290	0.000	1	130.1290	0.000	1	130.1290	0.000	1	130.4240	0.067	3	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C-4:	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	132.7270	0.000	1	132.7270	0.000	1	132.7270	0.000	1	132.7270	0.000	1	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5])	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2)	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5]){10|C<3>,1|H<1>,1|O<1>}	C[6,6a](C[5,6]B[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|C<4>}	124.7520	0.000	1	124.7520	0.000	1	124.7520	0.000	1	129.9375	19.955	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	133.6605	0.380	2	133.6605	0.144	2	133.6605	0.144	2	129.9375	19.955	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	127.6770	0.000	1	127.6770	0.000	1	127.6770	0.000	1	129.9375	19.955	4	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	131.0130	0.000	1	131.4445	0.372	2	131.4445	0.372	2	131.4445	0.372	2	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	131.8760	0.000	1	131.4445	0.372	2	131.4445	0.372	2	131.4445	0.372	2	131.4187	3.944	60	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6]-3:C[6a,6a]-3:C[6a,6a]-3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a,6a]2){3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a,6a]C[6a,6a]C[6a])2{2|C<4>,3|H<1>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	127.1760	0.000	1	127.1760	0.000	1	127.1760	0.000	1	127.1760	0.000	1	127.5425	0.269	2	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,5,6]-4:C[5,6,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6,6]C[5,5,6,6]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	127.9090	0.000	1	127.9090	0.000	1	127.9090	0.000	1	127.9090	0.000	1	127.5425	0.269	2	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	P[5,5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	128.0835	0.374	2	128.0835	0.140	2	128.0835	0.140	2	128.0835	0.140	2	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:2:	4:3:4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6a]-2:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a])	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,6](P[5,5,6]C[5,5,6]C[5,5]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]N[6a]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|S<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	128.7770	0.000	1	128.7770	0.000	1	128.7770	0.000	1	128.7770	0.000	1	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:4:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	P[5,5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](P[5,5,6]C[5,5]C[5,6])(C[5,6]C[5,5,6]C[6a])(CCHO){1|C<4>,2|H<1>,4|C<3>}	126.3090	2.852	2	126.3090	8.137	2	126.3090	8.137	2	126.3090	8.137	2	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,4|H<1>,5|C<3>}	128.9150	0.184	2	128.9150	0.034	2	128.4272	0.455	4	127.8969	2.369	9	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]H)(C[6a]C[6a]2){1|C<4>,1|S<3>,2|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,1|S<3>,2|C<3>,4|H<1>}	127.9395	0.617	2	127.9395	0.381	2	128.4272	0.455	4	127.8969	2.369	9	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:1:	C[5,5,6]-4:C[6a]-3:C[5,6]-3:	C[5a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[5a,6a]C[6a])(C[5,6]C[5,5,6]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(H){1|C<4>,2|C<3>,3|H<1>}	130.5310	0.000	1	130.5310	0.000	1	130.5310	0.000	1	127.8969	2.369	9	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	B[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]B[5,5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[5,6](B[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]P[5,5,6]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	126.7080	1.135	4	126.7080	1.289	4	126.7080	1.289	4	127.8969	2.369	9	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:2:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(CC){1|C<4>,4|H<1>,5|C<3>}	129.6210	0.000	1	129.6210	0.000	1	129.6210	0.000	1	129.6210	0.000	1	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:B-3:	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]B)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,3|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|Si<4>,1|B<3>,1|B<5>,1|C<3>,2|C<4>,2|F<1>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]Si)(C[5,6]C[3,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	123.8510	0.000	1	123.8510	0.000	1	123.8510	0.000	1	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	122.6030	0.000	1	122.6030	0.000	1	124.7003	2.352	6	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|B<5>,2|C<3>,2|F<1>,3|C<4>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,8|C<3>}	122.9350	0.000	1	122.9350	0.000	1	124.7003	2.352	6	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,8|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]F)2{1|B<5>,2|C<4>,2|F<1>,3|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	125.1760	0.000	1	125.1760	0.000	1	124.7003	2.352	6	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<5>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	125.6690	0.198	2	125.6690	0.039	2	124.7003	2.352	6	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[3,5,6]C[3,3,6]P[3x3,5]C[6a])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[5,6]C[3,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[3,5,6]B[3,3,6]P[3x3,5]C[3x6])(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	126.1500	0.000	1	126.1500	0.000	1	124.7003	2.352	6	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:B-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]B)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]F)2{1|Si<4>,1|C<3>,2|B<3>,2|C<4>,2|F<1>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]C[6a])(BC[6a]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	128.3240	0.000	1	128.3240	0.000	1	129.8920	4.917	2	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(COO){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	131.4600	0.000	1	131.4600	0.000	1	129.8920	4.917	2	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){11|C<3>,2|H<1>}	125.1462	1.191	4	125.1462	1.419	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	129.7810	0.000	1	130.4193	2.415	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	128.6440	0.000	1	130.4193	2.415	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	131.0040	0.000	1	130.4193	2.415	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	132.2480	0.000	1	130.4193	2.415	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	127.3208	1.562	4	127.6072	1.894	8	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<1>,3|H<1>,8|C<3>}	127.8937	1.327	4	127.6072	1.894	8	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>,6|H<1>}	130.7283	0.642	4	130.7070	0.269	8	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.6857	0.464	4	130.7070	0.269	8	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	133.0535	0.856	4	133.0535	0.732	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	133.1428	0.444	4	133.1428	0.197	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	131.1647	0.286	4	131.1647	0.082	4	129.9506	7.330	36	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	P[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	124.5070	1.809	2	124.5070	3.272	2	123.9907	1.525	4	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	P[5,5,6]-4:C[5,6]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	123.4745	0.489	2	123.4745	0.239	2	123.9907	1.525	4	128.5985	11.584	50	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:4:	C[5,5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5,6]-3:Si-4:	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3)	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[5,6]C[5,5,6,6]Si)(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[5,6]C[5,5,6,6]C[5,6])(C[6a]C[6a]F)2{2|Si<4>,1|C<3>,2|F<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[5,6]C[5,5,6,6]C[6a])(SiC3){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	126.9133	3.086	6	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	127.0095	1.179	2	127.0095	1.389	2	127.4476	1.717	5	126.9133	3.086	6	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|Rh<6>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	126.9350	0.977	2	126.9350	0.955	2	127.4476	1.717	5	126.9133	3.086	6	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:4:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5,6]P[5,5,6]C[5,6])(C[6a]C[6a]H)2{1|C<3>,1|S<1>,2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	129.3490	0.000	1	129.3490	0.000	1	127.4476	1.717	5	126.9133	3.086	6	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5,6]	C[6a]	C[5,6]	5:3:3:	3:3:3:	5:3:3:	C[5,5,6]-5:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-5:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Fe<8>,1|C<4>,1|C<5>,1|O<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]FeH)(C[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	128.0175	0.226	2	128.0175	0.051	2	128.0175	0.051	2	128.0175	0.051	2	128.2972	8.860	73	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	126.1480	0.000	1	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:2:	4:3:3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,2|N<2>,4|C<3>}	133.8560	0.000	1	133.8560	0.000	1	133.8560	0.000	1	133.8560	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5])	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5]){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[6a]Se[5])(Se[5]Se[5]){3|C<3>}	127.4670	0.000	1	127.4670	0.000	1	127.4670	0.000	1	127.4670	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(C[5]O[5]O){1|O<2>,2|C<4>,3|C<3>}	126.5820	0.000	1	126.5820	0.000	1	126.5820	0.000	1	129.7940	20.634	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	133.0060	0.000	1	133.0060	0.000	1	133.0060	0.000	1	129.7940	20.634	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	3:3:4:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){2|C<4>,2|H<1>,3|C<3>}	130.3955	0.261	2	130.3955	0.068	2	130.3955	0.068	2	130.3955	0.068	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	3:4:3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5])	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]){1|C<4>,2|H<1>,6|C<3>}	133.0140	0.000	1	133.0140	0.000	1	133.0140	0.000	1	133.0140	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:2:	3:3:3:	4:3:3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	136.9590	0.000	1	136.9590	0.000	1	136.9590	0.000	1	136.9590	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5]){1|H<1>,4|C<3>}	127.3340	0.000	2	127.3340	0.000	2	127.3340	0.000	2	127.3340	0.000	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5,5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	128.1060	0.000	1	128.1060	0.000	1	128.1060	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	128.5090	0.000	1	128.5090	0.000	1	128.5090	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	132.0125	0.763	2	132.0125	0.582	2	132.0125	0.582	2	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5,5]-3:N[5]-3:	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(N[5]C[5]H){1|O<1>,3|C<3>,4|H<1>}	127.0290	0.000	1	127.0290	0.000	1	127.0290	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	124.2450	0.000	1	124.2450	0.000	1	124.2450	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6]C[5])(C[5]C[6a]N[5])(C[5]N[5,6]O){1|C<4>,1|O<1>,4|C<3>}	129.1010	0.000	1	129.1010	0.000	1	129.1010	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	129.7890	0.000	1	129.7890	0.000	1	129.7890	0.000	1	128.3022	8.546	9	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]O[5]HH){1|O<1>,2|H<1>,3|C<3>}	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,4|C<3>}	128.9625	0.064	2	128.9625	0.004	2	128.9625	0.004	2	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:Si[5]-4:	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC)	C[5](C[5,5]C[5,5]Si[5])(N[5]C[6a]Si[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<4>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]Si[5]C[5])(C[5]C[6a]N[5])(Si[5]N[5]CC){2|C<4>,5|C<3>}	123.8095	0.817	6	123.8095	0.668	6	123.8095	0.668	6	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	127.5030	0.000	1	127.5030	0.000	1	128.0900	5.620	3	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	126.0680	0.000	1	126.0680	0.000	1	128.0900	5.620	3	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	130.6990	0.000	1	130.6990	0.000	1	128.0900	5.620	3	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]C)2{1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	130.7205	0.267	2	130.7205	0.071	2	130.7205	0.071	2	126.4397	9.340	14	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	126.7450	0.000	1	126.7450	0.000	1	126.7450	0.000	1	129.6293	5.459	6	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	128.0330	0.233	2	128.0330	0.054	2	129.9750	5.414	4	129.6293	5.459	6	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	131.9170	1.049	2	131.9170	1.101	2	129.9750	5.414	4	129.6293	5.459	6	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	131.1310	0.000	1	131.1310	0.000	1	131.1310	0.000	1	129.6293	5.459	6	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	3:4:4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	125.4200	0.225	2	125.4200	0.051	2	125.4200	0.051	2	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]O){8|C<3>}	125.1610	0.000	1	125.1610	0.000	1	124.8580	3.045	5	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	126.6350	0.000	1	124.7823	4.022	4	124.8580	3.045	5	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	122.8780	0.000	1	124.7823	4.022	4	124.8580	3.045	5	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{2|F<1>,9|C<3>}	123.2260	0.000	1	124.7823	4.022	4	124.8580	3.045	5	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[6a]C[5])2{1|O<1>,9|C<3>}	126.3900	0.000	1	124.7823	4.022	4	124.8580	3.045	5	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	130.0740	0.000	1	130.0740	0.000	1	130.0740	0.000	1	125.6505	5.006	8	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	129.7780	0.000	1	129.7780	0.000	1	129.7780	0.000	1	128.1463	1.606	7	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	129.2430	0.000	1	129.2430	0.000	1	129.2430	0.000	1	128.1463	1.606	7	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	126.4240	0.000	1	126.4240	0.000	1	127.6006	1.070	5	128.1463	1.606	7	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	127.8948	0.922	4	127.8948	0.850	4	127.6006	1.070	5	128.1463	1.606	7	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)2{1|P<5>,2|H<1>,4|C<3>}	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){10|C<3>,1|H<1>}	123.7475	1.439	2	123.7475	2.071	2	123.7475	2.071	2	123.8740	1.083	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:3:	3:3:3:	5:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-5:C[5]-3:C[5]-3:	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](Si[5,5]C[6a]2O[5]2)(C[5]C[6a]C[5])2{10|C<3>}	124.1270	0.000	1	124.1270	0.000	1	124.1270	0.000	1	123.8740	1.083	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:4:	3:3:3:	3:3:2:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:O[5]-2:	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	130.7730	1.386	2	130.7730	1.921	2	130.7730	1.921	2	130.7730	1.921	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	128.8555	0.367	2	128.8555	0.135	2	128.8555	0.135	2	128.8555	0.135	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:3:4:	3:3:3:	3:4:4:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	129.1030	0.165	2	129.1030	0.027	2	129.1030	0.027	2	129.1030	0.027	2	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	129.4880	0.000	1	129.4880	0.000	1	129.2733	0.046	3	129.2733	0.046	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	129.1660	0.154	2	129.1660	0.024	2	129.2733	0.046	3	129.2733	0.046	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	125.6080	0.000	1	125.6080	0.000	1	125.6080	0.000	1	128.9868	5.100	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]N)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,4|C<3>,4|H<1>}	130.2175	0.115	2	130.2175	0.013	2	130.1130	0.039	3	128.9868	5.100	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:3:4:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]P[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|Pd<4>,4|C<3>,4|H<1>}	129.9040	0.000	1	129.9040	0.000	1	130.1130	0.039	3	128.9868	5.100	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){3|H<1>,3|O<2>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	128.2890	0.000	1	128.2890	0.000	1	128.2890	0.000	1	128.2890	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	3:4:4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]2){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	126.2680	0.000	1	126.2680	0.000	1	126.2680	0.000	1	126.2680	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:2:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5])	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	127.5890	0.000	1	127.5890	0.000	1	127.5890	0.000	1	127.5890	0.000	1	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(N[5]C[5]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	129.9580	0.000	1	129.9580	0.000	1	129.9580	0.000	1	128.7883	0.783	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|O<2>,2|C<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5])(C[5]C[5]C){1|C<2>,1|H<1>,1|N<3>,6|C<3>}	128.1400	0.354	2	128.1400	0.125	2	128.1400	0.125	2	128.7883	0.783	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5]P[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|Se<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,8|C<3>}	128.9150	0.000	1	128.9150	0.000	1	128.9150	0.000	1	128.7883	0.783	4	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3x5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[3x5]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[6a]C[5])(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	127.9890	0.000	1	127.9890	0.000	1	127.9890	0.000	1	126.6697	1.492	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,5]	3:4:3:	3:3:3:	4:3:4:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]B[5]H)(C[6a]C[6a]2){1|N<3>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]B[5]C[5]H)(C[5]C[6a]C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,5|C<3>}	126.0100	0.611	2	126.0100	0.373	2	126.0100	0.373	2	126.6697	1.492	3	128.0133	8.145	81	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6])2(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,5|H<1>}	127.4205	0.991	2	127.4205	0.981	2	127.4205	0.981	2	127.4205	0.981	2	127.7653	0.847	3	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6,6]	4:3:3:	3:3:3:	3:3:4:	C[5,6,6]-4:C[5,6,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:C[3x6]-4:	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[6a](C[5]C[5,6,6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5]C[5,6,6]C[6a])(C[3x6]C[6,6]2H){2|C<3>,4|C<4>,6|H<1>}	128.4550	0.000	1	128.4550	0.000	1	128.4550	0.000	1	128.4550	0.000	1	127.7653	0.847	3	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:2:	3:3:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]N[6a])(O[5]P[5]){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[6]P[5])(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,1|N<2>,1|W<6>,2|C<3>,2|H<1>}	132.8750	0.311	2	132.8750	0.097	2	132.8750	0.097	2	132.8750	0.097	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(N[5]Se[5]){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]Se[5]C[6])(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>}	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	128.0585	66.644	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6]){2|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]Si[5,6]C[6])(C[5]C[6a]O[5])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	133.8310	0.000	1	133.8310	0.000	1	133.8310	0.000	1	128.0585	66.644	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	3:3:4:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5]){1|D<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Ge[5]C[6])(C[5]C[6a]O[5])(C[6]C[6]DH){1|D<1>,2|C<3>,2|H<1>,3|C<4>}	126.7360	0.000	1	126.7360	0.000	1	126.7360	0.000	1	126.7360	0.000	1	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5,6]S[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(S[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6])	C[5](C[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[6a]N[5])(C[6]C[6a]C[6]){1|H<1>,2|C<4>,8|C<3>}	131.0700	0.000	1	131.0700	0.000	1	131.0700	0.000	1	131.2020	0.509	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	131.9720	0.000	1	131.9720	0.000	1	131.2680	0.991	2	131.2020	0.509	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	130.5640	0.000	1	130.5640	0.000	1	131.2680	0.991	2	131.2020	0.509	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5])	C[5](C[5,6]C[5,6,6]C[5,6])(C[6a]C[6a]2)(O[5]P[5]){1|Mo<6>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5]){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|H<1>,5|C<3>}	130.5340	0.000	1	130.5340	0.000	1	130.5340	0.000	1	132.2835	6.122	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:P[6]-4:C[5]-3:	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5])	C[5](C[5,6]C[5,6,6]P[6])(C[6a]C[6a]2)(O[5]C[5,6]){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(P[6]C[6a]2C[6])(C[5]C[6a]O[5]){1|O<2>,2|C<4>,3|H<1>,7|C<3>}	134.0330	0.000	1	134.0330	0.000	1	134.0330	0.000	1	132.2835	6.122	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[6a]-3:P[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5])	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[6a]C[5]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	130.2912	0.660	4	130.2912	0.435	4	130.2912	0.435	4	130.2912	0.435	4	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){4|C<3>,4|C<4>}	130.1430	0.000	1	130.1430	0.000	1	128.7440	3.914	2	129.8600	5.694	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	127.3450	0.000	1	127.3450	0.000	1	128.7440	3.914	2	129.8600	5.694	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:O[6]-2:	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6])	C[5](C[5,6]N[5,6]O[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(O[6]C[6]){1|S<1>,3|H<1>,4|C<3>}	132.0920	0.000	1	132.0920	0.000	1	132.0920	0.000	1	129.8600	5.694	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	126.8730	0.000	1	126.8730	0.000	1	127.9245	2.211	2	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	128.9760	0.000	1	128.9760	0.000	1	127.9245	2.211	2	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6])(C[5,6]C[5]O[6])(C[5]C[6a]C[5]){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	128.6560	0.000	1	128.6560	0.000	1	128.6560	0.000	1	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	120.6720	0.000	1	120.5123	0.031	3	121.2857	0.992	6	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Cl<1>,2|H<1>,5|C<3>}	120.3220	0.000	1	120.5123	0.031	3	121.2857	0.992	6	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){2|H<1>,5|C<3>}	120.5430	0.000	1	120.5123	0.031	3	121.2857	0.992	6	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](N[5,6]B[5]C[6])(C[5]C[6a]C[5])(C[6]N[5,6]C){1|Cl<1>,1|B<4>,1|C<4>,5|C<3>}	122.0590	0.809	3	122.0590	0.654	3	121.2857	0.992	6	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,5|C<3>}	127.6560	0.000	1	127.6560	0.000	1	127.6560	0.000	1	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Au){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Au<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Au<2>,1|C<4>,1|H<1>,5|C<3>}	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]N[5,5,6]C[6])(N[5]P[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,1|P<3>,2|H<1>,3|C<3>}	C[5,6](N[5,5,6]C[5,6]P[5,5])(C[5]C[6a]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	123.9725	0.992	2	123.9725	0.984	2	123.9725	0.984	2	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5,6]){2|H<1>,9|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	125.4545	1.135	2	125.4545	1.288	2	125.4545	1.288	2	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]){1|B<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6](N[5,6]B[6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]H){1|N<3>,1|O<1>,2|F<1>,4|C<3>}	122.2010	0.000	1	122.2010	0.000	1	122.2010	0.000	1	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[5](N[5,5]Ga[4x5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|N<3>,2|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<6>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]Ga[4x5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,2|N<3>,2|S<2>,3|C<3>}	121.7870	0.634	2	121.7870	0.401	2	121.9867	0.320	3	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	N[5,5]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H)	C[5](N[5,5]Ga[5,5]N[5])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){2|Cl<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5,5])(C[6a]C[6a]H)2{1|Ga<5>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]Ga[5,5]C[6])(C[5]N[5,5]C[6a])(C[6]C[6]H){2|Cl<1>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	122.3860	0.000	1	122.3860	0.000	1	121.9867	0.320	3	123.5746	8.065	19	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]O[5])(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	130.1540	0.000	1	130.1540	0.000	1	130.1540	0.000	1	128.7785	3.784	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	127.4030	0.000	1	127.4030	0.000	1	127.4030	0.000	1	128.7785	3.784	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	128.5310	0.000	1	128.5310	0.000	1	128.5310	0.000	1	128.3990	1.147	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	129.3980	0.000	1	129.3980	0.000	1	129.3980	0.000	1	128.3990	1.147	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	127.2680	0.000	1	127.2680	0.000	1	127.2680	0.000	1	128.3990	1.147	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	128.7190	0.000	1	128.7190	0.000	1	128.8270	0.023	2	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	128.9350	0.000	1	128.9350	0.000	1	128.8270	0.023	2	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5]C[6a]C[5])(C[6]C[6,6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	121.9730	0.000	1	121.9730	0.000	1	121.9730	0.000	1	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	128.7065	0.213	2	128.7065	0.045	2	128.7065	0.045	2	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O){1|H<1>,1|O<2>,8|C<3>}	127.4120	0.000	1	127.4120	0.000	1	127.4120	0.000	1	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	129.4570	0.000	1	129.4570	0.000	1	127.3275	9.070	2	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(N[5]Si[5,6]N)(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	125.1980	0.000	1	125.1980	0.000	1	127.3275	9.070	2	127.2460	5.943	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	122.6458	0.309	4	122.6458	0.096	4	122.6458	0.096	4	125.7593	9.333	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	127.4240	0.000	1	127.4240	0.000	1	128.6730	3.120	2	125.7593	9.333	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	129.9220	0.000	1	129.9220	0.000	1	128.6730	3.120	2	125.7593	9.333	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	128.7130	0.000	1	128.7130	0.000	1	128.7130	0.000	1	125.7593	9.333	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	127.5960	0.168	2	127.5960	0.028	2	127.5960	0.028	2	125.7593	9.333	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	128.5540	0.000	1	128.5540	0.000	1	128.5540	0.000	1	130.4454	1.818	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	131.9080	0.000	1	131.9080	0.000	1	131.9080	0.000	1	130.4454	1.818	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	130.8985	0.958	2	130.8985	0.918	2	130.5883	0.748	3	130.4454	1.818	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	C[6a](C[5]C[5,6a]C[5,6])(C[6a]C[6a]Cl)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	129.9680	0.000	1	129.9680	0.000	1	130.5883	0.748	3	130.4454	1.818	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:2:	3:3:4:	C[5,6]-3:C[6a]-3:P[5]-4:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(P[5]C[5]C[6]Pd){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	127.6990	0.000	1	127.6990	0.000	1	127.6990	0.000	1	127.6990	0.000	1	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	123.7270	0.000	1	123.7270	0.000	1	127.0087	8.143	3	127.0087	8.143	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CF){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|F<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	128.6495	0.364	2	128.6495	0.133	2	127.0087	8.143	3	127.0087	8.143	3	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]2)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(C[5]C[6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	127.4730	0.000	1	127.4730	0.000	1	127.4730	0.000	1	128.7945	3.493	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	130.1160	0.000	1	130.1160	0.000	1	130.1160	0.000	1	128.7945	3.493	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5])(C[6]O[6]CH){1|C<4>,1|H<1>,5|C<3>}	129.1630	0.000	1	129.1630	0.000	1	129.1630	0.000	1	129.1630	0.000	1	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:2:	3:3:4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a])	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Cu)(C[6a]C[6a]N[6a]){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Cu<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	129.0570	0.000	1	129.0570	0.000	1	128.4335	0.778	2	128.4335	0.778	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:2:	3:3:4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a])	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6a]C[6a]N[6a]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Pd<4>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	127.8100	0.000	1	127.8100	0.000	1	128.4335	0.778	2	128.4335	0.778	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Au)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Au<2>,1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Au<2>,1|C<4>,4|C<3>,4|H<1>}	127.5570	0.231	2	127.5570	0.053	2	128.4090	2.002	6	128.4090	2.002	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	129.3545	2.345	2	129.3545	5.501	2	128.4090	2.002	6	128.4090	2.002	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Re)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]H)2{1|Re<6>,1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6a]P[5])(C[6]C[6]HH){1|Re<6>,1|C<4>,4|C<3>,4|H<1>}	128.3155	1.094	2	128.3155	1.197	2	128.4090	2.002	6	128.4090	2.002	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	128.1650	0.140	2	126.8895	2.259	4	127.1702	2.088	5	127.1702	2.088	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	125.9670	0.000	1	126.8895	2.259	4	127.1702	2.088	5	127.1702	2.088	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	125.2610	0.000	1	126.8895	2.259	4	127.1702	2.088	5	127.1702	2.088	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]O[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,6|C<3>,6|H<1>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	128.2930	0.000	1	128.2930	0.000	1	127.1702	2.088	5	127.1702	2.088	5	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]C[6a]){2|C<4>,2|H<1>,7|C<3>}	130.3640	0.048	2	130.3640	0.002	2	130.3640	0.002	2	127.1432	6.915	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]SiH)(C[6a]C[6a]2){1|Si<4>,1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]F)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(C[6]C[6]Si){1|Si<4>,1|B<3>,3|C<3>,5|H<1>}	124.6835	0.385	2	124.6835	0.149	2	124.6835	0.149	2	127.1432	6.915	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]C)2	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5])	C[5](C[5,6]C[6,6a]B[5,6])(P[5]C[6a]2N[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|C<4>}	C[6a](C[5]C[5,6]P[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](B[5,6]C[6a]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]P[5]){10|C<3>,1|H<1>,1|O<1>}	125.9240	0.000	1	125.9240	0.000	1	125.9240	0.000	1	127.1432	6.915	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[5](C[5,6]C[6,6a]C[5,6])(Si[5]C[5]Si2)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]Si[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	126.8400	0.000	1	126.8400	0.000	1	126.8400	0.000	1	127.1432	6.915	6	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[4,5]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5,6])(C[6a]C[6a]H)2	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H)	C[5](C[4,5]B[4,5]C[6a]C[4])(C[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[4,5]C[5,6])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6](N[5,6]B[4,5]C[6])(C[5]C[4,5]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	127.6020	0.000	1	127.6020	0.000	1	127.6020	0.000	1	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	128.7430	0.000	1	128.7430	0.000	1	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	128.0065	0.166	2	127.3722	0.530	6	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	127.9430	0.000	1	127.3722	0.530	6	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	127.1880	0.000	1	127.3722	0.530	6	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	126.3340	0.000	1	127.3722	0.530	6	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|O<2>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	126.7550	0.000	1	127.3722	0.530	6	127.5680	0.710	7	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5]C[5,6]2)(C[6a]C[6a]C){1|O<2>,2|C<4>,5|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	126.7400	0.000	1	126.7400	0.000	1	126.7400	0.000	1	127.4798	0.610	9	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5,6]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,5]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	130.4385	1.742	2	130.4385	3.033	2	130.4385	3.033	2	130.4385	3.033	2	127.4196	10.378	102	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	2:3:3:	3:3:3:	5:3:1:	O[5]-2:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-5:C[5]-3:H-1:	C[5](O[5]Nb[3,5,5])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H)	C[5](O[5]Nb[3,5,5])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Nb<6>,1|C<3>,1|C<5>,3|H<1>}	C[5](C[3,5]Nb[3,5,5]C[6a]N[3]H)(C[5]C[6a]O[5])(H){1|C<4>,1|N<2>,1|N<3>,5|C<3>}	124.6000	1.522	2	124.6000	2.316	2	124.6000	2.316	2	124.6000	2.316	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:2:3:	C[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:C[6a]-3:	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2)	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|N<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]2){2|H<1>,4|C<3>,4|N<3>}	131.5340	0.799	2	131.5340	0.638	2	131.5340	0.638	2	131.5340	0.638	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]S[5])(H){1|C<4>,5|C<3>}	128.0929	0.471	8	128.0929	0.222	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,4|C<3>}	126.7340	1.592	2	126.6779	0.579	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|B<4>,1|C<4>,4|C<3>}	126.1590	0.000	1	126.6779	0.579	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|H<1>,4|C<3>}	126.3420	0.000	1	126.6779	0.579	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<1>,4|C<3>}	127.1635	0.153	2	126.6779	0.579	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6,6]H)(S[5]C[5,3x6])(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]N[6,6])(C[5]C[6a]S[5])(H){1|C<4>,1|O<2>,4|C<3>}	126.5635	0.781	2	126.6779	0.579	8	127.3854	0.908	16	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H){5|C<3>}	128.1470	0.000	1	128.1470	0.000	1	128.5470	0.979	3	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	128.7470	1.311	2	128.7470	1.719	2	128.5470	0.979	3	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]C[5]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6]H)(H){2|C<3>,2|C<4>}	125.7510	0.000	1	125.7510	0.000	1	125.7510	0.000	1	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O){4|C<3>}	124.1423	0.478	7	124.1423	0.228	7	124.1423	0.228	7	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-2:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5,6]C)(O){4|C<3>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5,5]O)(H){1|C<4>,3|C<3>}	131.5535	1.298	2	131.5535	1.684	2	131.5535	1.684	2	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:Se[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]Se[5]C)(H)	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(C[5]Se[5]C)(H){2|C<3>}	124.6870	0.379	2	124.6870	0.144	2	124.6870	0.144	2	126.7581	4.532	32	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:3:2:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:Se-2:	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe)	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]Se[5])(SeSe){5|C<3>}	130.1120	0.584	2	130.1120	0.341	2	130.1120	0.341	2	130.1120	0.341	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:4:3:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO){4|C<3>}	134.7080	0.000	1	134.7080	0.000	1	134.7080	0.000	1	135.1425	0.378	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	3:4:3:	C[6a]-3:O[5]-2:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C)	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]O[5])(C[5]C[5,6]HH)(COO){4|C<3>}	135.5770	0.000	1	135.5770	0.000	1	135.5770	0.000	1	135.1425	0.378	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	4:3:1:	C[5]-3:N[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O)	C[5](C[5]C[5,6,6]O)(N[5]C[5,6,6])(C[6a]C[6a]2){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]N[6])(C[5]C[6a]N[5])(O){2|H<1>,3|C<3>,3|C<4>}	124.8540	0.000	1	124.8540	0.000	1	124.8540	0.000	1	124.8540	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	4:3:3:	C[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	133.1360	0.000	1	133.1360	0.000	1	133.1360	0.000	1	133.1550	0.304	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	4:3:3:	C[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO)	C[5](C[5]C[5,5,6,6]C)(O[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]O[5])(COO){8|C<3>}	132.6130	0.000	1	132.6130	0.000	1	132.6130	0.000	1	133.1550	0.304	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:2:3:	3:3:3:	4:3:3:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C)	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O){6|C<3>}	133.7160	0.000	1	133.7160	0.000	1	133.7160	0.000	1	133.1550	0.304	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5]){3|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){1|C<3>,2|N<2>}	123.8695	0.456	2	124.7738	2.860	5	124.7602	2.289	6	124.7602	2.289	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5]){3|C<3>}	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){1|C<3>,2|N<2>}	125.3767	2.062	3	124.7738	2.860	5	124.7602	2.289	6	124.7602	2.289	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:2:2:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]N[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,2|N<2>}	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2{1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){1|C<3>,2|N<2>}	124.6920	0.000	1	124.6920	0.000	1	124.7602	2.289	6	124.7602	2.289	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|N<2>,2|C<3>}	124.5737	0.258	3	124.5737	0.067	3	124.5737	0.067	3	124.5737	0.067	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){2|N<2>,3|C<3>}	127.0710	0.000	1	127.0710	0.000	1	129.6085	12.878	2	129.6330	4.302	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|C<3>,1|N<2>}	132.1460	0.000	1	132.1460	0.000	1	129.6085	12.878	2	129.6330	4.302	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,1|N<2>,3|C<3>}	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	129.6330	4.302	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|N<2>}	129.7730	0.000	1	129.7730	0.000	1	129.7730	0.000	1	129.6330	4.302	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:Se-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5]){1|C<3>,1|N<2>}	135.0645	1.503	2	135.0645	2.258	2	135.1100	1.135	3	135.1100	1.135	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:Se-2:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]Se)(N[5]N[5]){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(SeC[5a]){1|C<3>,1|N<2>}	135.2010	0.000	1	135.2010	0.000	1	135.1100	1.135	3	135.1100	1.135	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	133.1720	0.000	1	133.1720	0.000	1	133.1720	0.000	1	133.1720	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	126.5848	1.918	9	126.5848	3.678	9	126.9653	3.277	12	126.9653	3.277	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a])	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){1|N<2>,2|C<3>}	128.1070	0.838	3	128.1070	0.702	3	126.9653	3.277	12	126.9653	3.277	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5])(H){4|C<3>}	127.1850	0.000	1	126.1677	0.807	3	126.1677	0.807	3	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5])(H){4|C<3>}	125.6590	0.247	2	126.1677	0.807	3	126.1677	0.807	3	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(O){1|C<4>,3|C<3>}	125.5163	0.242	3	125.5163	0.058	3	125.5163	0.058	3	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){3|C<3>}	127.9015	0.630	2	127.9015	0.397	2	126.6079	2.726	8	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){3|C<3>}	126.1410	0.000	1	125.6868	1.756	5	126.6079	2.726	8	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){3|C<3>}	125.5733	1.502	4	125.6868	1.756	5	126.6079	2.726	8	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(H){2|C<3>}	128.6260	0.000	1	128.6260	0.000	1	126.6079	2.726	8	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:Br-1:	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]S[5])(S[5]C[5])(Br)	C[5](C[6a]C[6a]2)(C[5]S[5]Br)(S[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|Br<1>,1|S<2>,2|C<3>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(Br){1|N<3>,2|C<3>}	127.4870	0.000	1	127.4870	0.000	1	127.4870	0.000	1	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	126.7400	0.000	2	126.7400	0.000	2	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,3|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	126.1682	0.606	5	126.9798	0.895	13	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	127.0770	0.000	1	126.9798	0.895	13	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	127.5457	0.789	7	126.9798	0.895	13	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	126.6396	1.100	5	126.7587	1.054	6	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[6a]S[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6a](C[5]C[5]S[5])(C[6a]N[6a]H)(C[6a]N[6a]O){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(H){3|C<3>}	127.3540	0.000	1	126.7587	1.054	6	126.8938	0.813	21	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(Se[5]C[5])(H){1|N<2>,2|C<3>}	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	126.6305	1.273	37	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]S[5]){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H){2|C<3>,2|O<1>}	126.4070	0.000	1	126.4070	0.000	1	126.4070	0.000	1	129.0382	9.468	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C){2|C<3>}	128.0250	0.000	1	128.0250	0.000	1	128.0250	0.000	1	129.0382	9.468	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]Se[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2)	C[5](C[6a]C[6a]2)(C[5]Se[5]N)(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2){3|C<3>}	127.0690	0.000	1	127.0690	0.000	1	127.0690	0.000	1	129.0382	9.468	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(S[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(S[5]C[5])(COO){1|N<2>,2|C<3>}	134.1130	0.000	1	134.1130	0.000	1	134.1130	0.000	1	129.0382	9.468	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(N[5]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(N[5]C[5])(COO){1|N<3>,2|C<3>}	129.5770	0.000	1	129.5770	0.000	1	129.5770	0.000	1	129.0382	9.468	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]N[5]){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]CH){2|C<3>}	127.9502	0.804	10	127.9502	0.646	10	127.9502	0.646	10	128.1614	4.260	17	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(S[5]C[5])(CH3){3|C<3>}	134.9920	0.000	1	134.9920	0.000	1	134.9920	0.000	1	128.1614	4.260	17	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(CH3){3|C<3>}	127.4684	1.679	5	127.4684	2.818	5	127.4684	2.818	5	128.1614	4.260	17	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:Si-4:	C[5](C[6a]C[6a]2)(C[5]S[5]Si)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(S[5]C[5])(SiSiCC)	C[5](C[6a]C[6a]2)(C[5]S[5]Si)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|Si<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(S[5]C[5])(SiSiCC){3|C<3>}	126.9070	0.000	1	126.9070	0.000	1	126.9070	0.000	1	128.1614	4.260	17	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]){3|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]2)(C[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	129.1790	0.857	2	129.1790	0.734	2	129.1790	0.734	2	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	126.0310	0.000	1	126.0310	0.000	1	126.0310	0.000	1	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]2)(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	132.9120	0.000	1	132.9120	0.000	1	132.9077	0.459	3	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,3|C<3>}	133.5830	0.000	1	132.9055	0.918	2	132.9077	0.459	3	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H)	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(H){1|C<4>,4|C<3>}	132.2280	0.000	1	132.9055	0.918	2	132.9077	0.459	3	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	126.6235	0.336	2	126.6235	0.113	2	126.6235	0.113	2	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5,5]-3:S-1:	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S)	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5,5]C[5,5]2)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	131.3720	0.000	1	131.3720	0.000	1	131.3720	0.000	1	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:S-1:	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S)	C[5](C[5]N[5,5]S)(C[6a]C[6a]2)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]S[5])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	131.3355	0.288	2	131.3355	0.083	2	131.3355	0.083	2	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:I-1:	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I)	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(I){2|C<3>,2|C<4>,2|H<1>}	130.6650	0.000	1	130.6650	0.000	1	130.6650	0.000	1	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:Br-1:	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br)	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(Br){2|C<3>,2|C<4>,2|H<1>}	133.0640	0.266	2	133.0640	0.071	2	133.0640	0.071	2	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]N[5]){2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	127.2610	0.000	1	127.2610	0.000	1	127.2610	0.000	1	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)2	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)2{3|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	127.3710	0.000	1	127.3710	0.000	1	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	128.6700	0.738	2	128.6700	0.545	2	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	128.4910	0.000	1	128.4910	0.000	1	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	127.6660	0.000	1	128.3808	6.658	21	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	128.9793	2.797	15	128.3808	6.658	21	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	126.7284	1.013	5	128.3808	6.658	21	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	128.9355	2.094	2	128.9355	4.384	2	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){1|N<2>,2|C<3>}	124.0390	0.000	1	127.1980	19.959	2	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(H){3|C<3>}	130.3570	0.000	1	127.1980	19.959	2	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(H){4|C<3>}	124.4060	0.000	1	124.4060	0.000	1	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){4|C<3>}	130.0627	0.719	4	130.0627	0.517	4	128.4154	5.797	34	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){2|C<3>}	127.9900	0.000	1	127.9900	0.000	1	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H){1|Pd<4>,1|N<3>,3|C<3>}	129.1343	1.387	3	129.7233	2.670	4	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6]N[5])(H){1|Re<6>,1|N<3>,3|C<3>}	131.4900	0.000	1	129.7233	2.670	4	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Ru<9>,4|C<3>}	130.5800	0.027	2	130.5800	0.001	2	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	129.0930	0.000	1	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	131.0410	0.668	2	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	129.9535	0.151	2	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Re<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	129.4760	0.222	2	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	129.7760	0.195	2	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<6>,2|C<3>}	130.4978	0.712	5	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	129.9863	0.735	3	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	129.6270	0.000	1	130.0923	0.502	18	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]Ir)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]Ir)(H){3|C<3>}	130.6287	1.652	6	130.6287	2.730	6	130.1121	1.245	31	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(O){2|C<3>,2|C<4>}	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|N<3>,2|H<1>,3|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>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){3|C<3>}	124.3547	0.209	6	124.3547	0.044	6	124.3547	0.044	6	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(H){1|O<1>,2|C<3>}	132.7810	0.104	3	132.7810	0.011	3	133.1465	3.853	15	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){1|C<2>,1|O<2>,2|C<3>}	130.3670	0.000	1	129.9580	0.203	3	133.1465	3.853	15	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]O)(H){2|C<3>,2|C<4>}	129.7535	0.394	2	129.9580	0.203	3	133.1465	3.853	15	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H){1|Pd<4>,4|C<3>}	134.5966	0.837	8	134.5966	0.701	8	133.1465	3.853	15	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]N[5])(H){1|Ir<6>,1|N<3>,3|C<3>}	132.2080	0.000	1	132.2080	0.000	1	133.1465	3.853	15	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(N[5]C[5]Cu)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(N[5]C[5]Cu)(H){3|C<3>}	133.9030	0.000	1	133.9030	0.000	1	134.8208	0.996	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(N[5]C[5]Zn)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(N[5]C[5]Zn)(H){3|C<3>}	134.7380	0.979	2	134.7380	0.958	2	134.8208	0.996	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(N[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(N[5]C[6a]C[5])(H){5|C<3>}	135.9040	0.000	1	135.9040	0.000	1	134.8208	0.996	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]N[5]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H){1|N<2>,4|C<3>}	128.9450	0.000	1	128.9450	0.000	1	127.5433	0.996	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[5]S[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(S[5]S[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(C[5]S[5]S)(H){2|C<3>}	127.0760	0.429	3	127.0760	0.184	3	127.5433	0.996	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H){1|N<2>,2|C<3>}	127.7470	0.115	2	127.7893	0.012	3	128.2104	1.223	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[5]S)(H){1|O<2>,3|C<3>}	127.8740	0.000	1	127.7893	0.012	3	128.2104	1.223	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(H){5|C<3>}	128.8420	1.881	2	128.8420	3.538	2	128.2104	1.223	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(S){1|N<3>,4|C<3>}	131.1340	0.480	3	131.1340	0.230	3	131.1340	0.230	3	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:S[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)(S[5]C[5,6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(H){3|C<3>,3|C<4>}	128.9398	1.287	4	128.9398	1.656	4	128.9398	1.656	4	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	125.5750	1.952	2	125.5750	3.809	2	125.5750	3.809	2	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	131.2752	2.626	4	129.9102	10.408	6	129.4785	5.423	13	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|Si<4>,2|C<3>}	127.1800	3.000	2	129.9102	10.408	6	129.4785	5.423	13	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){2|C<3>,4|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	129.6550	0.000	1	129.1084	1.827	7	129.4785	5.423	13	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	129.0173	1.457	6	129.1084	1.827	7	129.4785	5.423	13	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){1|C<4>,2|C<3>}	131.2915	0.467	2	131.5350	0.287	3	131.5952	0.153	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(I){3|C<3>}	132.0220	0.000	1	131.5350	0.287	3	131.5952	0.153	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I){1|H<1>,4|C<3>}	131.6855	0.097	2	131.6855	0.009	2	131.5952	0.153	5	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){1|H<1>,2|C<3>}	126.3715	0.279	2	129.6670	6.601	6	129.6670	6.601	6	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:Se[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|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>}	C[5](C[5]C[6a]Se[5])(C[5]C[5]H)(H){3|C<3>}	131.3148	0.340	4	129.6670	6.601	6	129.6670	6.601	6	129.6803	7.694	148	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5])	C[5](C[5]C[5]S[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5]){1|N<3>,1|O<1>,5|C<3>}	126.3420	0.000	1	126.3420	0.000	1	126.3420	0.000	1	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6]-3:N[5]-2:	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5])	C[5](C[5]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6]C[6]2)(N[5]C[5]){2|H<1>,5|C<3>}	127.9300	0.000	1	127.9300	0.000	1	127.9300	0.000	1	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,5]){1|N<3>,2|H<1>,5|C<3>}	128.9315	0.465	2	128.9315	0.216	2	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,2|H<1>,5|C<3>}	127.9253	1.378	8	127.9253	1.898	8	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	129.1420	0.400	2	128.5879	1.647	45	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	126.8575	0.572	2	128.5879	1.647	45	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|H<1>,5|C<3>}	128.4728	1.245	34	128.5879	1.647	45	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	127.4700	0.000	1	128.5879	1.647	45	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,5|C<3>}	129.8185	0.829	6	128.5879	1.647	45	128.5040	1.655	55	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	128.1530	0.000	1	128.1530	0.000	1	128.0180	0.036	2	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	127.8830	0.000	1	127.8830	0.000	1	128.0180	0.036	2	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5]){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5]){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	132.9850	0.259	2	132.9850	0.067	2	132.9850	0.067	2	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	128.1587	0.708	4	128.3053	0.540	16	127.8278	1.291	22	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5])	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]C[5]){2|H<1>,5|C<3>}	128.3542	0.768	12	128.3053	0.540	16	127.8278	1.291	22	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5])	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5]){1|S<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(S[5]P[5]){1|S<1>,1|S<2>,2|H<1>,4|C<3>}	126.5545	1.062	6	126.5545	1.128	6	127.8278	1.291	22	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C-2:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]Se[5])(CC){2|C<3>,2|C<4>,2|H<1>}	130.4810	0.000	1	130.4810	0.000	1	130.4810	0.000	1	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN){5|C<3>}	128.3990	0.000	1	128.3990	0.000	1	128.8315	0.374	2	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(NO){1|C<4>,2|C<3>}	129.2640	0.000	1	129.2640	0.000	1	128.8315	0.374	2	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[6a]N[5])(N[5]S[5]){1|H<1>,2|O<1>,5|C<3>}	122.8060	0.000	1	122.8060	0.000	1	122.8060	0.000	1	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CC){1|O<1>,2|C<3>}	134.3097	0.348	3	134.3097	0.121	3	134.3097	0.121	3	128.5565	3.487	90	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	132.4865	0.360	2	132.4865	0.130	2	132.4865	0.130	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	131.2460	0.639	2	131.2460	0.409	2	131.2460	0.409	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N[6]-3:	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2){3|H<1>,6|C<3>}	134.0060	0.000	1	134.0060	0.000	1	134.0060	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	126.3470	0.000	1	128.2560	7.289	2	128.2560	7.289	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){2|H<1>,5|C<3>}	130.1650	0.000	1	128.2560	7.289	2	128.2560	7.289	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	130.7980	0.000	1	130.7980	0.000	1	130.7980	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	125.9770	0.000	1	125.9770	0.000	1	125.9770	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	129.2400	0.000	1	129.2400	0.000	1	129.2400	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5]-3:N[5]-3:	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O)	C[5](C[5]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[6a]N[5])(N[5]C[5,6]O){1|N<2>,2|C<4>,4|C<3>}	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,3|C<3>}	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	126.9500	0.000	1	126.9500	0.000	1	126.9500	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	130.5390	0.000	2	130.5390	0.000	2	130.5390	0.000	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	132.0260	0.000	1	132.4250	0.318	2	132.4250	0.318	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	132.8240	0.000	1	132.4250	0.318	2	132.4250	0.318	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a]){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	129.6600	0.000	1	129.6600	0.000	1	129.6600	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	132.2430	0.000	1	132.2430	0.000	1	132.2430	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	131.0270	0.000	1	131.0270	0.000	1	131.0270	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.4430	0.468	2	128.4430	0.219	2	128.4430	0.219	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H){3|C<3>}	126.5970	0.000	1	126.5970	0.000	1	127.8674	1.548	13	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH){2|C<3>}	129.5930	0.000	1	129.5930	0.000	1	127.8674	1.548	13	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCO){2|C<3>}	130.5270	0.000	1	130.5270	0.000	1	127.8674	1.548	13	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	127.6649	0.780	9	127.6649	0.609	9	127.8674	1.548	13	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN){2|C<3>}	126.5750	0.000	1	126.5750	0.000	1	127.8674	1.548	13	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(NCS){3|C<3>}	132.8430	0.000	1	132.8430	0.000	1	132.8430	0.000	1	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]Rh)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]N[5]){2|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]Rh)(CC[6a]C){1|Rh<6>,2|C<3>}	132.0945	0.605	2	132.0945	0.366	2	132.0945	0.366	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:P-3:	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|Ru<9>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|Ru<9>,4|C<3>}	131.2200	0.000	1	132.0235	1.291	2	132.0235	1.291	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:P-3:	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|W<6>,4|C<3>}	132.8270	0.000	1	132.0235	1.291	2	132.0235	1.291	2	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O){1|O<2>,3|C<3>}	133.2270	0.000	1	133.2270	0.000	1	134.0214	2.120	5	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|C<4>,3|C<3>}	132.6380	0.000	1	133.9365	3.372	2	134.0214	2.120	5	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	135.2350	0.000	1	133.9365	3.372	2	134.0214	2.120	5	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O){1|O<1>,2|C<3>}	135.9170	0.000	1	135.9170	0.000	1	134.0214	2.120	5	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH){1|O<1>,2|C<3>}	133.0900	0.000	1	133.0900	0.000	1	134.0214	2.120	5	130.1397	7.093	44	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2)(C[5]C[6a]S[5])(CH3){3|C<3>,3|C<4>}	129.1030	0.819	2	129.1030	0.670	2	129.1030	0.670	2	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CCHH){1|N<2>,2|C<3>}	121.7420	0.000	1	121.7420	0.000	1	125.5083	10.639	3	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]C)(CCHH){3|C<3>}	127.3915	0.030	2	127.3915	0.001	2	125.5083	10.639	3	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]O[5]O)(CN[6]HH){2|C<3>}	128.4690	0.000	1	128.4690	0.000	1	128.4690	0.000	1	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:P-4:	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2Au)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]){1|W<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2Au){1|W<6>,4|C<3>}	135.0560	0.000	1	135.0560	0.000	1	135.0560	0.000	1	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5])	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	127.1510	0.000	1	127.1510	0.000	1	127.1510	0.000	1	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[5]H)(CH3){1|S<1>,2|C<3>}	131.3680	0.000	1	131.3680	0.000	1	129.8930	1.308	4	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){3|C<3>}	129.5010	0.000	1	129.7810	0.157	2	129.8930	1.308	4	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[5]O)(CH3){1|S<1>,2|C<3>}	130.0610	0.000	1	129.7810	0.157	2	129.8930	1.308	4	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(S[5]C[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(N[5]C[6a]C[5])(CC[6a]HH){5|C<3>}	128.6420	0.000	1	128.6420	0.000	1	129.8930	1.308	4	128.7483	9.570	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O){1|S<4>,2|C<3>}	126.7200	0.000	1	126.7200	0.000	1	126.7200	0.000	1	131.1658	9.477	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H){1|O<1>,2|C<3>}	132.0635	0.176	2	132.0635	0.031	2	132.0635	0.031	2	131.1658	9.477	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(I){2|C<3>,2|H<1>}	133.8160	0.000	1	133.8160	0.000	1	133.8160	0.000	1	131.1658	9.477	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:2:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:Se-2:	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a])	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5,5]C[5]3)(SeC[6a]){2|H<1>,2|O<1>,4|C<3>}	132.6400	0.000	1	132.6400	0.000	1	132.6400	0.000	1	132.9915	2.497	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C-4:S[5]-2:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5])	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(CC[6a]HH)(S[5]C[5]){1|N<2>,2|C<3>}	132.1950	0.000	1	132.1950	0.000	1	132.1950	0.000	1	132.9915	2.497	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CN){1|C<4>,1|O<2>,2|C<3>}	131.8230	0.000	1	131.8230	0.000	1	131.8230	0.000	1	132.9915	2.497	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(SC){1|H<1>,3|C<3>}	135.3080	0.000	1	135.3080	0.000	1	135.3080	0.000	1	132.9915	2.497	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C-3:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	124.3830	0.000	1	124.3830	0.000	1	124.3830	0.000	1	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH){2|C<3>,2|H<1>}	132.3940	0.000	1	132.3940	0.000	1	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	133.4090	0.000	1	133.4090	0.000	1	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	129.0250	0.000	1	129.0250	0.000	1	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O){2|C<3>,2|C<4>}	133.6070	0.000	1	133.6070	0.000	1	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|C<4>,3|C<3>}	133.1050	0.000	1	133.1637	0.030	4	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,3|C<3>}	133.1833	0.207	3	133.1637	0.030	4	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(COO){4|C<3>}	134.7430	0.000	1	134.7430	0.000	1	132.8703	2.473	9	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6a]C)(C[5]C[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	132.0780	0.000	1	132.0780	0.000	1	132.0780	0.000	1	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	131.4910	0.000	1	131.4910	0.000	1	131.4910	0.000	1	131.9821	7.717	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[5]HH){2|C<3>,2|H<1>}	132.9020	0.000	1	132.9020	0.000	1	132.9020	0.000	1	133.6877	0.810	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:4:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:P-4:	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]P)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(PC[6a]2O){1|C<4>,1|H<1>,2|C<3>}	134.0805	0.834	2	134.0805	0.695	2	134.0805	0.695	2	133.6877	0.810	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H){3|H<1>,4|C<3>}	131.3110	0.000	1	132.2195	1.651	2	132.4973	1.057	3	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	133.1280	0.000	1	132.2195	1.651	2	132.4973	1.057	3	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5]2N[5])(C[5]C[6a]O[5])(H){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	133.0530	0.000	1	133.0530	0.000	1	132.4973	1.057	3	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(O[5]P[5,6]){1|S<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5](C[5,6]P[5,6]C[6a]C[6])(C[5]C[6a]O[5])(H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	130.7450	0.000	1	130.7450	0.000	1	130.7450	0.000	1	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]H)(C[6a]C[6a]2)(S[5]P[3,5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H)	C[5](C[5]C[3,5]H)(C[6a]C[6a]2)(S[5]P[3,5]){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]S[5])(H){1|W<6>,6|C<3>}	126.5160	0.000	2	126.5160	0.000	2	126.5160	0.000	2	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(C[5]C[6a]O[5])(H){1|N<2>,6|C<3>}	132.0680	0.000	1	132.0680	0.000	1	131.6960	0.277	2	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H){1|H<1>,1|N<3>,4|C<3>}	131.3240	0.000	1	131.3240	0.000	1	131.6960	0.277	2	130.5826	6.996	8	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	131.7260	0.000	1	131.7260	0.000	1	132.0920	0.400	3	131.9017	0.250	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5])(CN){1|N<3>,1|O<1>,6|C<3>}	132.2750	0.774	2	132.2750	0.598	2	132.0920	0.400	3	131.9017	0.250	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-2:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5,6]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5])(CN){1|H<1>,1|O<2>,5|C<3>}	131.4280	0.000	1	131.4280	0.000	1	131.4280	0.000	1	131.9017	0.250	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CN){1|H<1>,5|C<3>}	131.8530	0.339	2	131.8530	0.115	2	131.8530	0.115	2	131.9017	0.250	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<1>,4|C<3>,6|H<1>}	133.9750	0.000	1	133.9750	0.000	1	133.9750	0.000	1	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:C-3:	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]O[5])(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	132.4090	0.000	1	132.4090	0.000	1	132.4090	0.000	1	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5,5]){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])(COO){1|C<2>,1|O<2>,4|C<3>}	136.2160	0.288	2	136.2160	0.083	2	134.6870	4.472	4	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	131.7470	0.000	1	131.7470	0.000	1	134.6870	4.472	4	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[6a]O[5])(COO){5|C<3>}	134.5690	0.000	1	134.5690	0.000	1	134.6870	4.472	4	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	133.9660	0.178	2	133.9660	0.032	2	133.9660	0.032	2	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2){1|S<4>,4|C<3>}	128.7160	0.000	1	128.7160	0.000	1	127.1455	4.933	2	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H){1|S<4>,4|C<3>}	125.5750	0.000	1	125.5750	0.000	1	127.1455	4.933	2	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O){2|H<1>,4|C<3>}	133.1680	0.713	2	133.1680	0.508	2	133.6210	0.870	3	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,4|C<3>}	134.5270	0.000	1	134.5270	0.000	1	133.6210	0.870	3	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(S[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])(COO){2|H<1>,4|C<3>}	130.6010	0.000	1	130.6010	0.000	1	130.6010	0.000	1	132.7728	8.416	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	134.2535	0.448	2	134.2535	0.200	2	133.9748	0.829	4	134.1768	0.826	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[6a]O[5])(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	133.6960	1.406	2	133.6960	1.976	2	133.9748	0.829	4	134.1768	0.826	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CF3){1|S<4>,4|C<3>}	134.9850	0.000	1	134.9850	0.000	1	134.9850	0.000	1	134.1768	0.826	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	2:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	2:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	N[6a]-2:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,1|N<2>,4|C<3>}	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	123.7102	4.600	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	122.5040	0.000	1	122.5040	0.000	1	123.3658	5.342	4	123.7102	4.600	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	123.6530	2.742	3	123.6530	7.518	3	123.3658	5.342	4	123.7102	4.600	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H)	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6,6a])(C[5]C[5]2){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H){1|N<2>,3|H<1>,4|C<3>}	130.1000	0.000	1	130.1000	0.000	1	130.1000	0.000	1	127.6889	9.141	7	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	130.0530	0.000	1	130.0530	0.000	1	127.2870	9.613	6	127.6889	9.141	7	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	128.2337	2.925	3	128.2337	8.557	3	127.2870	9.613	6	127.6889	9.141	7	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<4>,1|O<2>,2|C<3>}	124.4840	2.213	2	124.4840	4.898	2	127.2870	9.613	6	127.6889	9.141	7	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:O[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]O[6a])(C[5]C[5]C)2{1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	125.7370	1.544	2	125.7370	2.385	2	125.7370	2.385	2	125.7370	2.385	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a])	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<2>,1|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H){1|N<2>,3|C<3>}	128.0250	0.000	2	128.0250	0.000	2	128.0250	0.000	2	128.0250	0.000	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H){1|N<2>,5|C<3>}	124.6630	0.000	1	124.6630	0.000	1	124.6630	0.000	1	127.9260	10.459	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.6810	0.000	1	131.6810	0.000	1	131.6810	0.000	1	127.9260	10.459	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Fe)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|N<2>,2|C<3>}	129.2990	1.683	2	129.2990	2.832	2	127.7620	8.503	3	127.9260	10.459	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]N[6a])(N[5]N[5]Re)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|B<4>,1|C<3>,1|N<2>}	124.6880	0.000	1	124.6880	0.000	1	127.7620	8.503	3	127.9260	10.459	5	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[6,6a]-3:C[5]-3:N[6a]-2:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(N[5]O[5]O){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a]){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	134.3970	0.000	1	134.3970	0.000	1	134.3970	0.000	1	134.3970	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Ir){1|N<2>,2|H<1>,4|C<3>}	135.2120	0.000	1	135.2120	0.000	1	135.0390	0.060	2	135.0390	0.060	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[6]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os)	C[5](C[6a]C[6a]N[6a])(C[5]C[6]N[5])(N[5]C[5]H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6]C[6]N[6])(N[5]C[5]Os){1|N<2>,2|H<1>,4|C<3>}	134.8660	0.000	1	134.8660	0.000	1	135.0390	0.060	2	135.0390	0.060	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){1|H<1>,2|C<3>,2|C<4>}	124.2200	0.000	1	123.9290	0.065	3	122.9538	1.901	5	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){4|C<3>}	123.7835	0.052	2	123.9290	0.065	3	122.9538	1.901	5	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){1|C<4>,1|H<1>,3|C<3>}	121.4910	0.584	2	121.4910	0.341	2	122.9538	1.901	5	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O){4|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O){1|C<4>,3|C<3>}	122.7300	0.000	1	122.5245	0.084	2	122.5245	0.084	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O){1|H<1>,2|C<3>,2|C<4>}	122.3190	0.000	1	122.5245	0.084	2	122.5245	0.084	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H){4|C<3>}	124.0030	0.000	1	124.0030	0.000	1	124.0030	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O){4|C<3>}	122.3860	0.000	1	122.3860	0.000	1	122.3860	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	126.2470	0.543	2	126.2470	0.295	2	126.2460	0.147	3	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(H)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	126.2440	0.000	1	126.2440	0.000	1	126.2460	0.147	3	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	122.2520	1.198	2	122.2520	1.435	2	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|C<4>,1|O<2>,3|C<3>}	119.9330	0.000	1	121.1275	2.854	2	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){5|C<3>}	122.3220	0.000	1	121.1275	2.854	2	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.0225	0.476	2	125.0225	0.226	2	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5,5])(O){1|O<2>,2|C<3>,2|C<4>}	124.8100	1.300	3	124.8100	1.691	3	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O){5|C<3>}	121.2350	0.768	3	121.2350	0.590	3	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(O){1|O<2>,2|C<3>,2|C<4>}	120.2038	0.319	6	120.2038	0.102	6	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6870	0.000	1	120.6870	0.000	1	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,4|C<3>}	121.1100	0.000	1	121.1100	0.000	1	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,4|C<3>}	121.7963	0.815	3	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	121.6170	0.000	1	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|N<3>,3|C<3>}	122.7010	0.000	1	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	120.9935	1.149	4	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,4|C<3>}	120.0190	0.000	1	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){2|C<4>,3|C<3>}	121.4580	0.000	1	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){2|H<1>,3|C<3>}	122.0200	0.000	1	121.4315	0.949	12	121.7230	2.861	32	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	121.5165	0.288	2	121.5165	0.083	2	121.5165	0.083	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	123.5695	0.672	2	122.6270	2.891	3	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	120.7420	0.000	1	122.6270	2.891	3	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	122.4250	0.000	1	122.0630	0.262	2	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	121.7010	0.000	1	122.0630	0.262	2	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,2|C<3>,2|H<1>}	124.7140	0.000	1	124.3264	0.114	5	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	123.9210	0.000	1	124.3264	0.114	5	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	124.5480	0.000	1	124.3264	0.114	5	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,2|C<3>,2|C<4>}	124.2245	0.269	2	124.3264	0.114	5	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	123.4080	0.000	1	123.0176	0.492	7	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	122.6270	0.000	1	123.0176	0.492	7	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<2>,2|C<3>,2|H<1>}	121.6660	0.000	1	123.0176	0.492	7	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|H<1>}	123.3555	0.347	4	123.0176	0.492	7	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	119.9780	0.000	1	119.9780	0.000	1	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	124.9980	0.000	1	124.9980	0.000	1	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.1100	0.000	1	124.6953	2.007	3	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|C<4>}	125.8380	0.000	1	124.6953	2.007	3	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<2>,2|C<3>,2|H<1>}	125.1380	0.000	1	124.6953	2.007	3	123.3556	2.067	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,1|I<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(Se[5]C[5])(H){1|I<1>,3|C<3>}	120.2995	0.274	2	120.2995	0.075	2	120.2995	0.075	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:Cl-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]Cl)(N[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]O[5])(Cl){1|O<1>,2|C<3>}	132.2150	0.000	1	132.2150	0.000	1	132.2150	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	127.1473	0.314	3	127.1473	0.099	3	127.1473	0.099	3	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>}	123.2420	0.000	1	124.7827	2.654	3	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>}	125.5530	1.322	2	124.7827	2.654	3	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	128.3740	0.000	1	128.3740	0.000	1	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	128.8563	0.384	3	128.6755	0.266	6	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|H<1>,1|S<1>,2|C<3>}	128.4947	0.648	3	128.6755	0.266	6	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,1|O<2>,2|C<3>}	128.1510	0.000	1	127.2672	1.074	5	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]O){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|O<2>,1|S<1>,2|C<3>}	127.0463	1.052	4	127.2672	1.074	5	127.4074	3.020	15	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:S-1:	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]S[5]S)(N[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(S){1|C<4>,3|C<3>}	125.3430	0.829	2	125.3430	0.687	2	125.3430	0.687	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|H<1>,1|N<3>,2|C<3>}	127.4350	0.000	1	127.4350	0.000	1	127.4350	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]S[5]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|C<4>,1|N<3>,2|C<3>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>}	125.2725	0.111	2	125.2725	0.012	2	125.2725	0.012	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cd)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Cd<6>,3|C<3>}	127.5605	1.768	2	127.5605	3.128	2	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Co<5>,3|C<3>}	125.1495	0.305	2	124.8363	0.854	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<6>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Co<6>,3|C<3>}	124.5230	1.441	2	124.8363	0.854	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Cu<4>,3|C<3>}	126.3870	0.740	4	126.3870	0.547	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Fe<6>,3|C<3>}	125.2060	2.132	4	125.2060	4.547	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Ni<6>,1|N<2>,2|C<3>}	123.1850	0.000	1	123.7680	0.680	2	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]S[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Ni<6>,1|N<3>,2|C<3>}	124.3510	0.000	1	123.7680	0.680	2	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(C[5]S[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Pd<4>,1|C<4>,2|C<3>}	130.1775	0.747	2	130.1775	0.559	2	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<6>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Zn<6>,1|N<2>,2|C<3>}	123.8310	1.237	2	124.8837	2.451	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(C[5]S[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<6>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Zn<6>,3|C<3>}	125.9365	1.179	2	124.8837	2.451	4	125.8302	4.390	22	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Cu)(C[5]S[5]H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|Cu<4>,3|C<3>}	125.1105	1.497	4	125.1105	2.241	4	125.1105	2.241	4	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]Se[5]H){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a])(Se[5]C[5,5])(H){1|S<2>,3|C<3>}	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(H)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(H){1|N<3>,3|C<3>}	128.3320	0.000	1	128.3320	0.000	1	128.3320	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[5,6]C[6a])(O[5]C[5,6])(O){1|N<2>,4|C<3>}	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(S[5]C[5,6])(H)	C[5](N[5,6]C[5,6]B[6])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a])(S[5]C[5,6])(H){1|B<4>,1|N<2>,2|C<3>}	124.1065	0.422	2	124.1065	0.178	2	124.1065	0.178	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<2>,3|C<3>}	125.3816	0.421	5	125.9328	1.965	6	125.9328	1.965	6	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,3|C<3>}	128.6890	0.000	1	125.9328	1.965	6	125.9328	1.965	6	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|N<2>,3|C<3>}	123.7190	0.000	1	123.7190	0.000	1	124.8673	1.056	6	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Se[5]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(H){1|N<2>,3|C<3>}	125.0970	0.961	5	125.0970	0.924	5	124.8673	1.056	6	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<2>,3|C<3>}	124.9200	0.000	1	125.5270	0.737	2	125.5270	0.737	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O)	C[5](C[5]C[6a]N[5])(S[5]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]S[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]O[6a]O){1|H<1>,1|S<2>,4|C<3>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(H){1|N<3>,3|C<3>}	126.1340	0.000	1	125.5270	0.737	2	125.5270	0.737	2	124.3192	6.812	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|C<4>,1|H<1>,2|C<3>}	127.2510	0.000	1	126.7268	1.278	5	126.7268	1.278	5	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a])	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NC[5a]){1|H<1>,3|C<3>}	126.5957	1.260	4	126.7268	1.278	5	126.7268	1.278	5	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(NO){1|C<4>,1|H<1>,3|C<3>}	124.9200	1.458	5	124.9200	2.127	5	124.9200	2.127	5	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC){1|O<1>,2|C<3>,2|H<1>}	127.6640	0.000	1	127.6640	0.000	1	127.6640	0.000	1	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:C-2:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]O[5])(CC)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]O[5]O){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]O[5])(CC){1|O<1>,2|C<3>}	132.0280	0.000	1	132.0280	0.000	1	132.0280	0.000	1	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:S-2:	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(SC[6a])	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]S[5]S){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|S<2>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(SC[6a]){1|C<4>,1|N<2>,2|C<3>}	126.1580	0.000	1	126.1580	0.000	1	126.1580	0.000	1	126.4680	4.865	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH){4|C<3>}	125.2280	0.281	2	125.2280	0.079	2	127.0897	2.102	7	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C){1|N<3>,3|C<3>}	127.7870	0.504	3	127.7870	0.254	3	127.0897	2.102	7	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CNO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CNO){4|C<3>}	126.8320	0.000	1	126.8320	0.000	1	127.0897	2.102	7	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(COO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(COO){4|C<3>}	128.9790	0.000	1	128.9790	0.000	1	127.0897	2.102	7	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5])(NHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(NHH){4|C<3>}	125.0277	0.344	3	125.0277	0.118	3	125.0277	0.118	3	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH)	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH){1|C<4>,5|C<3>}	119.4860	0.000	1	119.4860	0.000	1	121.4970	8.088	2	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,4|C<3>}	123.5080	0.000	1	123.5080	0.000	1	121.4970	8.088	2	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H)	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H){2|O<2>,3|C<3>}	121.6820	0.000	1	121.6820	0.000	1	121.6820	0.000	1	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH){1|C<2>,1|O<1>,2|C<3>}	126.3380	0.000	1	126.3380	0.000	1	124.5665	6.276	2	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|O<1>,3|C<3>}	122.7950	0.000	1	122.7950	0.000	1	124.5665	6.276	2	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(O[5]N[5])(NHH)	C[5](C[6a]C[6a]2)(C[5]O[5]N)(N[5]N[5]O){2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]N[5])(NHH){1|O<1>,2|C<3>}	130.7820	0.000	1	130.7820	0.000	1	130.7820	0.000	1	125.5814	8.116	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|O<1>,2|C<3>,2|C<4>}	129.0780	0.000	1	129.0780	0.000	1	129.0780	0.000	1	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:P[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(P[5]C[5])(CH3){1|C<4>,3|C<3>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	126.2540	0.000	1	126.2540	0.000	1	127.9360	5.658	2	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(S[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>}	129.6180	0.000	1	129.6180	0.000	1	127.9360	5.658	2	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:C-4:	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]Se[5]C)(N[5]C[5]C){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	125.5670	0.000	1	125.5670	0.000	1	125.5670	0.000	1	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3)	C[5](N[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(C[5]S[5]C){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5a]C[6a])(S[5]C[5,5a])(CH3){1|N<3>,3|C<3>}	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	126.4952	6.428	6	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H)	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H){1|H<1>,5|C<3>}	127.1765	0.395	2	127.1765	0.156	2	127.1765	0.156	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	124.1160	0.000	2	124.1160	0.000	2	126.8371	1.865	14	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	As[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){4|C<3>}	127.2907	0.796	12	127.2907	0.634	12	126.8371	1.865	14	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	124.1070	0.375	2	124.1070	0.140	2	124.1070	0.140	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O)	C[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]C)(O){1|C<4>,1|N<3>,2|C<3>}	127.9700	0.000	1	127.9700	0.000	1	127.9700	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O){1|N<3>,5|C<3>}	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:Br-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br){1|N<3>,4|C<3>}	126.7630	0.000	1	126.7630	0.000	1	126.7630	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	126.2100	0.000	1	126.2100	0.000	1	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	127.0780	0.000	1	127.0780	0.000	1	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H){4|C<3>}	125.5080	0.000	1	125.5080	0.000	1	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H){4|C<3>}	125.9951	0.695	7	125.9951	0.482	7	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H){4|C<3>}	124.3895	0.977	2	124.3895	0.954	2	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	125.5206	1.056	24	125.5206	1.116	24	125.6121	1.036	36	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	121.8890	0.000	1	121.8890	0.000	1	121.9450	0.009	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	121.9730	0.119	2	121.9730	0.014	2	121.9450	0.009	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	129.8540	0.000	1	129.8540	0.000	1	129.8540	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	123.9880	0.000	1	123.9880	0.000	1	123.9880	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(O){7|C<3>}	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	126.4893	0.068	3	125.8582	1.596	4	125.4356	2.090	5	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	123.9650	0.000	1	125.8582	1.596	4	125.4356	2.090	5	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	123.7450	0.000	1	123.7450	0.000	1	125.4356	2.090	5	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	124.3730	0.000	1	124.3730	0.000	1	124.3730	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	122.6600	0.000	1	123.9865	3.519	2	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<2>,1|H<1>,4|C<3>}	125.3130	0.000	1	123.9865	3.519	2	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	123.4520	0.000	1	123.4520	0.000	1	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	122.7880	0.668	4	122.5874	0.536	5	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	121.7850	0.000	1	122.5874	0.536	5	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	121.8900	0.000	1	121.8900	0.000	1	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.3280	0.000	1	121.3280	0.000	1	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	119.4310	0.000	1	120.6937	1.207	3	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<4>,4|C<3>}	121.3250	0.153	2	120.6937	1.207	3	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	125.0060	0.000	1	124.2195	1.237	2	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|N<1>,1|O<1>,4|C<3>}	123.4330	0.000	1	124.2195	1.237	2	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|Si<4>,1|H<1>,4|C<3>}	120.1460	0.000	1	120.1460	0.000	1	122.3904	2.498	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:O-1:	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(O){1|N<3>,5|C<3>}	122.7480	0.000	1	122.7480	0.000	1	122.7480	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]C[5])(O){1|N<3>,2|F<1>,4|C<3>}	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]C)(H){5|C<3>}	119.7500	0.000	1	119.7500	0.000	1	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,6]C)(H){5|C<3>}	122.4565	0.057	2	122.4565	0.003	2	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|N<3>,3|C<3>}	124.7300	0.000	1	124.7300	0.000	1	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	122.1070	0.000	1	122.1070	0.000	1	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|P<4>,5|C<3>}	124.7110	0.000	1	122.6644	1.905	27	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,1|P<4>,5|C<3>}	122.5940	0.000	1	122.6644	1.905	27	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	123.2992	1.176	16	122.6644	1.905	27	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	121.3162	0.474	9	122.6644	1.905	27	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(H){3|C<3>}	124.3490	0.000	1	124.3490	0.000	1	122.6602	2.048	33	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(O){6|C<3>}	125.0765	0.316	2	125.0765	0.100	2	122.7510	1.621	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(O){1|O<1>,3|C<3>}	121.4985	0.614	2	121.4985	0.378	2	122.7510	1.621	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(O){1|C<4>,5|C<3>}	122.7320	0.000	1	122.4444	0.187	7	122.7510	1.621	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(O){6|C<3>}	122.3965	0.453	6	122.4444	0.187	7	122.7510	1.621	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5]C[6a]C[5])(N[5]C[5,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	125.6300	0.000	1	125.6300	0.000	1	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	121.4300	0.000	1	121.4300	0.000	1	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	123.9020	0.000	1	123.9020	0.000	1	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	120.9621	1.175	10	121.1250	1.535	11	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){4|C<3>}	122.7540	0.000	1	121.1250	1.535	11	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|N<2>,3|C<3>}	123.2690	0.000	1	121.7167	1.761	7	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	120.5840	0.000	1	121.7167	1.761	7	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	121.9015	1.341	4	121.7167	1.761	7	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	120.5580	0.000	1	121.7167	1.761	7	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]N)(O){1|O<1>,3|C<3>}	121.5080	0.065	2	121.5080	0.004	2	121.6683	2.271	23	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H)	C[5](C[5]N[5,6a]H)(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(H){2|H<1>,4|C<3>}	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	120.4253	0.586	4	120.4253	0.343	4	120.4253	0.343	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2{6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){2|H<1>,2|O<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	125.7295	3.403	4	125.7295	11.580	4	125.7295	11.580	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	120.6630	0.000	1	120.6630	0.000	1	120.6630	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>}	129.5765	0.917	2	129.5765	0.841	2	131.0397	3.184	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	132.5030	0.385	2	132.5030	0.148	2	131.0397	3.184	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	122.5680	0.981	2	122.5680	0.963	2	122.5680	0.963	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	C[6a](C[6a]C[6a]2)2(C[5]C[5]2){3|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	122.7735	0.062	2	122.7735	0.004	2	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	122.9790	0.000	1	122.9790	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	122.7790	0.000	1	123.7814	1.780	8	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,3|C<3>}	125.0577	0.840	3	123.7814	1.780	8	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){4|C<3>}	122.5933	0.435	3	123.7814	1.780	8	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){5|C<3>}	124.5190	0.000	1	123.7814	1.780	8	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){4|C<3>}	123.1610	0.000	1	123.1610	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|F<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	121.7930	0.000	1	125.3710	1.939	30	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	124.2378	1.237	4	125.3710	1.939	30	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){6|C<3>}	125.3760	0.431	3	125.3710	1.939	30	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	125.9021	0.950	21	125.3710	1.939	30	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	122.3140	0.000	1	125.3710	1.939	30	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(H){1|P<4>,5|C<3>}	124.6290	0.000	1	124.6290	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|H<1>,3|C<3>}	128.7720	0.000	1	128.7720	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>}	127.6730	0.000	1	127.6730	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|N<2>,4|C<3>}	128.7230	1.210	3	128.6050	1.031	4	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|N<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(H){2|N<2>,3|C<3>}	128.2510	0.000	1	128.6050	1.031	4	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|N<2>,2|C<3>}	123.3770	0.000	1	123.3770	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(H){1|C<4>,1|O<1>,2|C<3>}	129.4790	0.000	1	129.4790	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|O<1>,3|C<3>}	128.5270	0.000	1	128.5270	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|O<1>,2|C<3>}	129.2950	0.000	1	129.2950	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H){1|H<1>,5|C<3>}	122.5720	0.000	1	122.5720	0.000	1	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	126.0092	0.607	4	126.0092	0.369	4	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	126.6860	3.327	4	126.6860	11.068	4	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|S<6>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	125.6790	0.399	4	127.0117	0.895	26	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	127.2647	0.820	21	127.0117	0.895	26	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>}	127.0300	0.000	1	127.0117	0.895	26	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	126.5796	0.857	8	126.5183	0.677	9	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	126.0280	0.000	1	126.5183	0.677	9	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,5|C<3>}	124.8365	0.786	21	124.8365	0.618	21	125.8062	3.230	118	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,1|I<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(I){1|H<1>,4|C<3>}	127.2105	0.155	2	127.2105	0.024	2	127.2105	0.024	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(O){1|C<4>,5|C<3>}	122.9960	0.000	1	122.9960	0.000	1	125.6800	5.403	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	127.0070	0.000	1	127.0220	0.000	2	125.6800	5.403	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(O){1|H<1>,3|C<3>}	127.0370	0.000	1	127.0220	0.000	2	125.6800	5.403	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(H){1|O<1>,3|C<3>}	126.9940	0.000	1	126.9940	0.000	1	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(H){1|O<1>,5|C<3>}	126.8740	0.000	1	126.8740	0.000	1	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Co<6>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]B)(H){1|Co<6>,1|C<4>,2|C<3>}	124.6213	1.150	6	124.6213	1.322	6	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O){1|Mo<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]C)(H){1|Mo<6>,1|O<2>,2|C<3>}	127.5950	0.000	1	127.5950	0.000	1	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ru<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	127.9480	0.000	1	127.9480	0.000	1	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])(H){1|H<1>,5|C<3>}	127.8525	0.665	2	127.8525	0.443	2	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	127.4120	1.530	2	127.4120	2.341	2	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Ru)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)2{1|Ru<8>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|N<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Ru)(H){1|H<1>,3|C<3>}	127.4730	0.000	1	127.4730	0.000	1	126.3427	2.868	15	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	120.0070	0.517	4	120.0070	0.267	4	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	122.3540	0.000	1	122.3540	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	121.6390	0.000	1	121.6390	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	123.8710	0.000	1	123.8710	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	123.2170	0.000	1	124.2450	0.499	4	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	124.3480	0.000	1	124.2450	0.499	4	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	124.6870	0.000	1	124.2450	0.499	4	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	124.7280	0.000	1	124.2450	0.499	4	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	124.1200	0.000	1	124.1200	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	123.8610	0.000	1	123.8610	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	121.1440	0.000	1	121.1440	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	125.1070	0.000	1	125.1070	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	124.0520	0.000	1	124.0520	0.000	1	122.6972	3.792	16	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:P[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(P[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]P[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(P[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	125.2330	0.000	1	125.2330	0.000	1	125.2330	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br)	C[5](C[6a]C[6a]2)(C[5]C[5]Br)(N[5]N[5]B){1|Br<1>,1|Ni<6>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]Br)(Br){1|Ni<6>,1|B<4>,2|C<3>}	129.8680	0.744	6	129.8680	0.554	6	129.8680	0.554	6	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]W){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|W<6>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(H){1|W<6>,3|C<3>}	127.3880	0.000	1	127.3880	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	129.4830	0.000	1	129.4830	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	127.7560	0.000	1	128.0780	0.207	2	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<4>,1|B<4>,2|C<3>}	128.4000	0.000	1	128.0780	0.207	2	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Co<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Co<5>,1|B<4>,4|C<3>}	128.3369	0.750	15	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Cu<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<5>,1|B<4>,4|C<3>}	128.2340	0.854	6	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|B<4>,4|C<3>}	127.9577	0.910	48	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	127.5820	1.153	6	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Fe<7>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<7>,1|B<4>,4|C<3>}	128.3180	0.000	1	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|B<4>,4|C<3>}	127.5330	0.495	2	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<4>,1|B<4>,4|C<3>}	129.4310	0.000	1	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]B){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<5>,1|B<4>,4|C<3>}	128.2302	0.876	9	128.0546	0.799	88	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<5>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|C<4>,4|C<3>}	129.8550	0.694	2	129.8456	2.421	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Fe<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|C<4>,4|C<3>}	130.8855	0.039	2	129.8456	2.421	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ni<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<6>,1|C<4>,4|C<3>}	129.3073	1.995	4	129.8456	2.421	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Re<6>,1|C<4>,4|C<3>}	129.8730	2.459	2	129.8456	2.421	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<6>,1|C<4>,1|N<3>,3|C<3>}	127.3810	1.356	2	128.6124	1.267	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Ru<9>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<9>,1|C<4>,1|N<3>,3|C<3>}	130.2410	1.037	2	128.6124	1.267	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Zn<4>,1|C<4>,1|N<3>,3|C<3>}	128.4800	0.092	6	128.6124	1.267	10	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Cu<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<3>,1|C<4>,4|C<3>}	130.1120	0.577	2	128.5563	6.008	9	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	127.7540	3.129	5	128.5563	6.008	9	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|C<4>,4|C<3>}	129.2470	0.000	1	128.5563	6.008	9	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]C){1|Rh<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<6>,1|C<4>,4|C<3>}	128.7660	0.000	1	128.5563	6.008	9	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<6>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<6>,1|H<1>,2|C<3>}	131.2683	0.633	3	131.2683	0.401	3	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ti<6>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|H<1>,2|C<3>}	132.2300	0.000	1	132.2300	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	132.6940	0.000	1	132.6940	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<9>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	131.4050	0.000	1	131.4050	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	129.7910	0.281	2	129.7910	0.079	2	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	128.9780	0.000	1	128.9780	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	130.7930	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	130.5030	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	131.1417	0.989	3	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	129.7560	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	130.3460	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	129.7955	1.262	2	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	129.5770	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ru<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Ru<8>,1|H<1>,1|N<3>,3|C<3>}	131.9100	0.000	1	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sm<13>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){1|Sm<13>,1|H<1>,1|N<3>,3|C<3>}	131.8515	0.122	2	130.7388	1.017	13	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|C<3>,2|H<1>}	130.1350	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|H<1>,2|C<3>}	130.9705	0.211	2	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	132.3930	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Cu<5>,1|H<1>,2|C<3>}	133.5840	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ir<6>,1|H<1>,2|C<3>}	130.9940	2.332	3	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	132.7780	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|H<1>,2|C<3>}	132.4960	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|H<1>,2|C<3>}	131.9620	0.000	1	131.6610	2.180	11	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	132.0005	0.330	2	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Cu<6>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,1|H<1>,2|C<3>}	131.6178	0.530	4	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,1|H<1>,2|C<3>}	131.9330	0.000	1	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|H<1>,2|C<3>}	133.3460	0.000	1	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|H<1>,2|C<3>}	131.7378	0.484	5	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|C<3>,2|H<1>}	130.6947	0.358	3	131.6577	0.542	16	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]N)(H){1|Zn<4>,1|H<1>,2|C<3>}	129.5067	0.805	3	129.5067	0.647	3	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Co<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Co<4>,1|H<1>,4|C<3>}	130.9255	1.167	2	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Er<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,1|H<1>,4|C<3>}	130.7500	0.000	1	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	130.9423	0.741	3	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Fe<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|H<1>,4|C<3>}	130.8890	0.000	1	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Ir<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ir<8>,1|H<1>,4|C<3>}	129.8740	0.263	2	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<5>,1|H<1>,4|C<3>}	131.3170	1.281	2	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|H<1>,4|C<3>}	129.8800	0.000	1	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|H<1>,4|C<3>}	129.7912	0.699	4	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Rh<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<4>,1|H<1>,4|C<3>}	131.3890	1.353	2	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Sb<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Sb<6>,1|H<1>,4|C<3>}	131.6022	0.887	4	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Yb<8>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,1|H<1>,4|C<3>}	131.2710	0.000	1	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	124.7590	0.000	1	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	131.3135	0.650	2	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|H<1>,4|C<3>}	130.6195	0.653	22	130.6087	1.403	48	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]N[5]O){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|O<1>,3|C<3>}	128.7290	0.000	2	128.7290	0.000	2	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]S[5]N){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])(H){1|N<2>,4|C<3>}	125.8460	0.000	1	125.8460	0.000	1	129.4534	3.231	224	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	128.8650	0.000	1	128.8650	0.000	1	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H){2|C<3>,2|H<1>}	131.8560	0.000	1	131.4167	0.308	3	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]Co)(H){2|C<3>,2|H<1>}	131.1970	0.571	2	131.4167	0.308	3	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]C[5]H){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]H)(H){1|H<1>,1|S<1>,2|C<3>}	129.9645	1.141	4	129.9645	1.301	4	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	133.1845	0.375	2	133.1845	0.141	2	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	131.1880	0.000	1	131.1880	0.000	1	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|C<4>,4|C<3>}	129.2845	0.018	2	129.2845	0.000	2	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	130.3046	1.808	9	129.7590	4.618	13	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|C<4>,2|C<3>}	128.5315	2.618	4	129.7590	4.618	13	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(N[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|H<1>,2|C<3>}	130.6053	1.228	4	130.6053	1.509	4	130.2796	3.259	30	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){1|C<4>,4|C<3>}	130.7110	0.584	2	130.7110	0.341	2	130.6366	1.909	10	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	130.5737	1.832	6	130.6180	2.403	8	130.6366	1.909	10	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:I-1:	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I)	C[5](C[6a]C[6a]2)(C[5]N[5]I)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(I){1|C<4>,2|C<3>}	130.7510	0.010	2	130.6180	2.403	8	130.6366	1.909	10	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|C<4>}	127.0560	0.000	1	127.0560	0.000	1	127.0560	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|S<1>,2|C<3>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S){1|C<4>,5|C<3>}	129.0880	0.000	1	128.6075	0.462	2	128.7383	0.282	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(S){1|C<4>,5|C<3>}	128.1270	0.000	1	128.6075	0.462	2	128.7383	0.282	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:S-1:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(S){1|C<4>,4|C<3>}	129.0000	0.000	1	129.0000	0.000	1	128.7383	0.282	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:Se-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(Se){1|C<4>,4|C<3>}	130.4230	0.000	1	130.4230	0.000	1	130.3295	0.017	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:Se-1:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(Se){1|C<4>,2|C<3>}	130.2360	0.000	1	130.2360	0.000	1	130.3295	0.017	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(P[5]C[5]N){3|C<3>,3|H<1>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|N<3>,3|C<3>}	126.4065	0.182	2	126.4065	0.033	2	126.4065	0.033	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H){1|Al<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|Al<4>,4|C<3>}	127.9965	0.359	2	127.8084	1.058	5	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Al)(C[5]C[5]H){1|Li<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Al<4>,1|Li<4>,4|C<3>}	127.6830	1.412	3	127.8084	1.058	5	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Co<5>,1|B<4>,2|C<3>}	128.3080	1.578	23	128.3080	2.490	23	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<5>,1|B<4>,2|C<3>}	128.2080	1.267	6	128.1133	1.400	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<4>,1|C<4>,2|C<3>}	127.5450	0.000	1	128.1133	1.400	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Co<5>,1|B<4>,4|C<3>}	127.1209	0.742	15	127.2276	0.667	17	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Co<4>,1|H<1>,4|C<3>}	128.0280	1.229	2	127.2276	0.667	17	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|B<4>,2|C<3>}	131.0410	0.542	6	129.8869	2.174	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|B<4>,2|C<3>}	128.3742	1.121	6	129.8869	2.174	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|C<4>,2|C<3>}	130.3123	1.404	3	129.8869	2.174	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Cu<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<6>,3|C<3>}	130.1060	1.289	4	129.8869	2.174	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,1|H<1>,2|C<3>}	128.8960	0.000	1	128.8960	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<5>,1|C<4>,2|C<3>}	127.3530	0.204	2	127.3530	0.041	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Cu<4>,3|C<3>}	127.4903	0.684	4	127.4903	0.468	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<5>,1|B<4>,4|C<3>}	127.0677	0.916	6	127.3568	1.024	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Cu<3>,1|C<4>,4|C<3>}	128.2240	0.981	2	127.3568	1.024	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Er<8>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,4|C<3>}	129.2357	0.605	3	128.3235	3.572	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Er)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Er<8>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Er<8>,1|H<1>,4|C<3>}	125.5870	0.000	1	128.3235	3.572	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<5>,1|C<4>,2|C<3>}	127.7362	0.262	6	127.7362	0.068	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	130.5670	0.000	1	128.6855	2.704	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|C<4>,4|C<3>}	126.9610	0.532	2	128.6855	2.704	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|C<4>,4|C<3>}	128.9085	1.546	2	128.6855	2.704	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	129.8070	0.000	1	128.6855	2.704	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<3>,2|C<3>}	127.8047	1.418	3	127.5327	2.776	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<3>,1|B<4>,2|C<3>}	127.3710	0.000	1	127.5327	2.776	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<4>,1|B<4>,2|C<3>}	127.3553	0.843	3	127.5327	2.776	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<5>,1|B<4>,2|C<3>}	128.3943	1.434	9	127.5327	2.776	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Fe<6>,1|B<4>,2|C<3>}	124.9073	0.425	3	127.5327	2.776	19	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Fe<6>,3|C<3>}	129.7572	2.332	4	129.7572	5.440	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|B<4>,4|C<3>}	127.9448	1.613	47	127.5121	3.450	56	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|B<4>,4|C<3>}	125.2272	1.122	5	127.5121	3.450	56	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<7>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<7>,1|B<4>,4|C<3>}	128.0090	0.000	1	127.5121	3.450	56	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<5>,1|H<1>,4|C<3>}	124.4980	0.511	2	127.5121	3.450	56	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Fe<6>,1|H<1>,4|C<3>}	124.1290	0.000	1	127.5121	3.450	56	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	130.0923	2.774	9	129.9232	6.502	15	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	129.6695	2.401	6	129.9232	6.502	15	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	127.6520	0.000	1	127.0270	2.930	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<7>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	125.6465	0.158	2	127.0270	2.930	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,3|C<3>}	129.1630	0.000	1	127.0270	2.930	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|Ir<6>,4|C<3>}	125.0270	3.691	2	125.0270	13.624	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<6>,1|B<4>,2|C<3>}	136.6995	2.389	2	137.3707	4.206	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){1|B<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ir<7>,1|B<4>,2|C<3>}	138.7130	0.000	1	137.3707	4.206	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ir<8>,1|H<1>,4|C<3>}	136.0780	0.468	2	136.0780	0.219	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Li)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Li)(C[5]C[5]H){1|Al<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Li<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Al<4>,1|Li<4>,4|C<3>}	127.4447	0.491	3	127.4447	0.241	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mg)(C[5]C[5]H){1|Mg<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|Mg<5>,4|C<3>}	127.2952	0.393	4	127.2952	0.154	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<6>,1|H<1>,2|C<3>}	129.7007	1.181	4	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<5>,2|C<3>}	129.9963	0.835	3	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	131.2870	0.000	1	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|Mn<6>,2|C<3>}	130.1880	0.000	1	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<6>,2|C<3>}	131.4860	1.018	2	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){2|Mn<6>,2|C<3>}	128.9040	0.000	1	130.1786	1.264	12	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<4>,2|C<3>}	129.9910	0.373	2	130.5982	0.368	5	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|Mn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Mn<6>,2|C<3>}	131.0030	0.230	3	130.5982	0.368	5	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<5>,1|H<1>,4|C<3>}	129.9645	1.008	2	129.6843	0.743	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|H<1>,4|C<3>}	129.1240	0.000	1	129.6843	0.743	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<3>,1|B<4>,2|C<3>}	127.6690	0.000	1	127.9598	1.106	11	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<4>,1|B<4>,2|C<3>}	127.8893	1.198	7	127.9598	1.106	11	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Mn<5>,1|B<4>,2|C<3>}	128.2213	1.033	3	127.9598	1.106	11	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Mn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Mn<6>,1|B<4>,4|C<3>}	126.4737	0.924	3	126.4737	0.854	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	129.4650	0.000	1	129.4650	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<4>,2|C<3>}	127.7210	0.100	2	127.1172	1.088	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|O<3>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|C<4>,2|C<3>}	126.8153	1.202	4	127.1172	1.088	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<6>,1|C<4>,4|C<3>}	127.7103	1.464	4	127.7103	2.142	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<6>,1|B<4>,2|C<3>}	123.8927	1.738	3	123.8927	3.019	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|Ni<5>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(H){2|Ni<5>,1|N<3>,3|C<3>}	129.9790	0.000	1	129.9790	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<3>,1|B<4>,2|C<3>}	126.3640	0.000	1	127.5972	2.144	65	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<4>,1|B<4>,2|C<3>}	127.5322	0.993	31	127.5972	2.144	65	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<5>,1|B<4>,2|C<3>}	128.0659	1.433	30	127.5972	2.144	65	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ni<6>,1|B<4>,2|C<3>}	123.9920	0.646	3	127.5972	2.144	65	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<4>,1|B<4>,2|C<3>}	127.2740	1.068	8	127.3546	0.869	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ni<5>,1|B<4>,2|C<3>}	127.4620	0.798	6	127.3546	0.869	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<4>,1|B<4>,4|C<3>}	125.7960	0.000	1	126.5344	1.503	10	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]C[5]H){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Ni<5>,1|B<4>,4|C<3>}	126.6164	1.271	9	126.5344	1.503	10	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,2|C<3>}	127.5035	0.052	2	127.5035	0.003	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	126.4740	1.894	3	126.4740	3.587	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Pd<4>,2|C<3>}	129.1042	1.069	6	129.1042	1.142	6	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	128.3603	1.015	4	127.8836	1.683	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|Pd<4>,4|C<3>}	127.9793	1.213	3	127.8836	1.683	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,5|C<3>}	125.6900	0.000	1	127.8836	1.683	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,1|C<4>,4|C<3>}	134.1460	0.000	1	134.1460	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|C<4>,4|C<3>}	129.8750	0.000	1	127.9647	2.064	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){2|Pt<4>,4|C<3>}	129.2070	0.074	2	127.9647	2.064	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pt<4>,1|H<1>,4|C<3>}	126.8660	0.522	4	127.9647	2.064	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Pt<4>,1|C<4>,2|C<3>}	135.1262	1.314	4	135.1262	1.726	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	125.8580	0.000	1	127.1153	0.571	9	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	127.4140	0.608	5	127.1153	0.571	9	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	127.0367	0.722	3	127.1153	0.571	9	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Re<6>,1|C<4>,4|C<3>}	125.8025	1.759	2	125.8025	3.093	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Rh<4>,1|B<4>,2|C<3>}	126.6330	0.000	1	126.6330	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<6>,1|C<4>,4|C<3>}	126.4670	0.000	1	127.3170	1.214	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5](C[5]C[6a]N[5])2(H){1|Rh<4>,1|H<1>,4|C<3>}	127.7420	1.160	2	127.3170	1.214	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|C<4>,2|C<3>}	126.8060	0.000	1	128.0985	3.341	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<9>,1|H<1>,2|C<3>}	129.3910	0.000	1	128.0985	3.341	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Ru<8>,1|H<1>,2|C<3>}	137.0020	0.000	1	137.0020	0.000	1	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|Sb<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Sb<6>,2|C<3>}	131.8972	0.798	4	131.8972	0.636	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Sb<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Sb<6>,1|H<1>,4|C<3>}	130.1467	0.411	4	130.1467	0.169	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Sm<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sm<6>,1|B<4>,2|C<3>}	127.9157	0.662	3	127.9157	0.438	3	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ti)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ti)(C[5]C[5]H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Ti<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ti<6>,1|B<4>,2|C<3>}	127.1190	2.588	2	127.1190	6.698	2	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Yb<8>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,4|C<3>}	129.0293	0.247	3	128.2237	2.636	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Yb)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Yb<8>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Yb<8>,1|H<1>,4|C<3>}	125.8070	0.000	1	128.2237	2.636	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|Zn<6>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<6>,3|C<3>}	130.2583	1.448	4	130.2583	2.098	4	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	127.8764	1.220	9	127.4501	1.624	15	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	126.8107	1.161	6	127.4501	1.624	15	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<3>,1|B<4>,2|C<3>}	126.8970	0.000	1	127.8076	1.619	106	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<4>,1|B<4>,2|C<3>}	127.8216	0.931	33	127.8076	1.619	106	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]C)(H){1|Zn<5>,1|B<4>,2|C<3>}	127.8138	1.411	72	127.8076	1.619	106	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<5>,1|B<4>,2|C<3>}	129.1778	0.804	6	129.1426	0.548	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Zn<4>,1|C<4>,2|C<3>}	128.9310	0.000	1	129.1426	0.548	7	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|Zn<3>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<3>,1|Zn<4>,4|C<3>}	129.2612	1.108	5	128.9133	2.955	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<3>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<3>,1|Zn<4>,4|C<3>}	128.3643	2.014	6	128.9133	2.955	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	126.8560	0.000	1	128.9133	2.955	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Zn<4>,1|H<1>,4|C<3>}	130.7190	0.238	2	128.9133	2.955	14	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]O[5]Pd)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(N[5]O[5]Pd)(C[5]C[5]H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[6a]O[5])(H){1|Pd<4>,4|C<3>}	138.3006	0.823	8	138.3006	0.678	8	128.2868	5.511	572	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(C[5]N[5]H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H){1|Ni<4>,1|N<2>,4|C<3>}	127.6683	0.227	4	127.6683	0.051	4	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Cu<4>,4|C<3>}	129.0530	0.000	1	129.0530	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	127.2350	0.000	1	127.2350	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]F)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|F<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]F){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	138.5865	0.973	4	138.5865	0.947	4	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Ir<8>,4|C<3>}	138.9090	0.000	1	138.9090	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ir<6>,2|C<3>}	138.8940	0.256	2	138.8940	0.066	2	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Mo)(C[5]N[5]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Mo<6>,4|C<3>}	127.8910	0.000	1	127.8910	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ni<6>,2|C<3>}	128.8033	1.111	6	128.8033	1.234	6	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Os)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Os<9>,2|C<3>}	138.8460	0.358	3	138.8460	0.128	3	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	127.9293	0.635	7	127.9638	0.453	9	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pd<4>,2|C<3>}	128.0845	1.083	2	127.9638	0.453	9	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Pt<4>,2|C<3>}	127.9290	0.000	1	127.9290	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<6>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Re<6>,2|C<3>}	128.0690	0.311	2	128.0690	0.097	2	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Rh<8>,2|C<3>}	138.9170	0.000	1	138.9170	0.000	1	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Ru<9>,2|C<3>}	138.7590	0.519	7	138.7590	0.269	7	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(H){1|Zn<5>,4|C<3>}	129.3005	0.473	2	129.3005	0.224	2	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Zn<5>,2|C<3>}	127.9775	0.411	2	127.9775	0.169	2	132.2506	27.445	47	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H)	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6,6a]C[6a])(N[5]N[5]Ru)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	127.8047	0.392	3	127.8047	0.153	3	127.8047	0.153	3	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]O){1|Re<6>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	127.5780	0.000	1	127.5780	0.000	1	127.5780	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(C[5]C[5]H){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Co<6>,1|B<4>,2|C<3>}	124.7837	0.082	3	124.7837	0.007	3	129.6580	6.597	18	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Re)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Re<6>,1|C<4>,2|C<3>}	126.2790	0.000	1	126.2790	0.000	1	129.6580	6.597	18	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){1|Sb<6>,1|H<1>,2|C<3>}	130.7203	0.433	12	130.9439	0.484	14	129.6580	6.597	18	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Sb)(C[5]C[5]H){1|Sb<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|Sb<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]N[5]H)(H){2|Sb<6>,2|C<3>}	132.2850	0.177	2	130.9439	0.484	14	129.6580	6.597	18	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	126.6240	0.000	1	126.5735	1.284	4	126.5735	1.284	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){1|Cu<4>,2|C<3>}	125.7360	0.000	1	126.5735	1.284	4	126.5735	1.284	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,1|F<1>,2|C<3>,2|H<1>,3|N<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){2|Cu<4>,2|C<3>}	128.1580	0.000	1	126.5735	1.284	4	126.5735	1.284	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H)	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]N[5]H){1|Cu<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Cu<4>,2|C<3>,3|H<1>,3|N<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(H){2|Cu<4>,2|C<3>}	125.7760	0.000	1	126.5735	1.284	4	126.5735	1.284	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:S[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(S[5]C[5]Ru)(C[5]C[5]H){1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<6>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]S[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,2|C<3>}	128.9130	1.269	2	128.9130	1.609	2	128.9130	1.609	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,4|C<3>}	128.1270	0.000	1	128.1270	0.000	1	128.7900	0.879	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H)	C[5](N[5,5]N[5,5]B[5])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,1|N<3>,1|O<3>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]H)(H){2|B<4>,2|C<3>}	129.4530	0.000	1	129.4530	0.000	1	128.7900	0.879	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]W)(H)	C[5](N[5,5a]C[5a,6]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|W<6>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]W)(H){4|C<3>}	125.4610	0.000	1	125.4610	0.000	1	127.3355	1.425	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])2(H)	C[5](N[5,5a]C[5a,6a]N[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])2(H){1|B<4>,5|C<3>}	128.2957	0.625	4	128.2957	0.391	4	127.3355	1.425	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])2(H)	C[5](N[5,5a]N[5,5a]B[5a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])2(H){1|B<4>,5|C<3>}	126.4458	0.669	4	126.4458	0.448	4	127.3355	1.425	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H){4|C<3>}	127.9130	0.000	1	128.1315	0.095	2	127.3355	1.425	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H)	C[5](N[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]H){1|Cr<6>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,5a]C[6a])(C[5]N[5,5a]Cr)(H){4|C<3>}	128.3500	0.000	1	128.1315	0.095	2	127.3355	1.425	11	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){5|C<3>}	122.5210	0.000	1	122.5210	0.000	1	126.5450	8.173	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(H){1|C<4>,4|C<3>}	126.8580	0.000	1	126.8580	0.000	1	126.5450	8.173	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H)	C[5](N[5,6]N[5,6]B[6])(C[6a]C[6a]2)(C[5]C[5]H){1|B<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a])(C[5]N[5,6]H)(H){2|B<4>,2|C<3>}	128.4005	1.159	2	128.4005	1.343	2	126.5450	8.173	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C)(H){2|C<3>,2|C<4>}	127.9175	0.627	2	127.9175	0.393	2	127.9175	0.393	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){4|C<3>,4|H<1>}	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]H)(H){4|C<3>}	130.4480	0.000	1	130.4480	0.000	1	130.4480	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:H-1:	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,5]Pt)(C[5]N[5,5]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,1|S<2>,3|C<3>}	128.2700	0.000	1	128.2700	0.000	1	128.2700	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H){1|Ir<7>,1|N<2>,4|C<3>}	136.2800	0.000	1	135.4790	1.283	2	132.7445	19.279	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6]Ir)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]N[5])(H){1|Ir<8>,1|N<2>,4|C<3>}	134.6780	0.000	1	135.4790	1.283	2	132.7445	19.279	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pt<5>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H){1|Pt<5>,1|H<1>,4|C<3>}	126.3600	0.000	1	126.3600	0.000	1	132.7445	19.279	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:H-1:	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H)	C[5](N[5]C[5,6]Pt)(C[5]N[5,6]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5])(H){1|Pt<4>,1|H<1>,4|C<3>}	133.6600	0.000	1	133.6600	0.000	1	132.7445	19.279	4	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(H){1|H<1>,6|C<3>}	124.8300	0.000	1	124.8300	0.000	1	124.8300	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(H){1|Pd<4>,5|C<3>}	126.1020	0.000	1	126.1020	0.000	1	126.1020	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Ir<6>,1|C<4>,2|C<3>}	127.2220	0.000	1	127.1402	0.054	4	127.9286	1.463	8	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>}	127.0785	0.384	2	127.1402	0.054	4	127.9286	1.463	8	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	127.1820	0.000	1	127.1402	0.054	4	127.9286	1.463	8	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(H){6|C<3>}	128.3537	1.327	3	128.3537	1.761	3	127.9286	1.463	8	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:H-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]H)(H){3|C<3>}	129.8070	0.000	1	129.8070	0.000	1	127.9286	1.463	8	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:I-1:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]I){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(I){5|C<3>}	129.7670	0.000	1	129.7670	0.000	1	129.7670	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Br-1:	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br)	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br){1|H<1>,5|C<3>}	128.0920	0.000	1	128.0920	0.000	1	128.0920	0.000	1	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(H){1|H<1>,5|C<3>}	127.4490	0.000	1	127.4490	0.000	1	126.4020	0.318	7	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	P[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){4|C<3>}	126.2275	0.354	6	126.2275	0.125	6	126.4020	0.318	7	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	Se[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5]-3:H-1:	C[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H)	C[5](Se[5]C[5,3x6]O)(C[5]C[5,6,6]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(C[5]C[6a]Se[5])(H){1|C<4>,1|O<1>,5|C<3>}	129.0425	0.200	2	129.0425	0.040	2	129.0425	0.040	2	127.8103	9.847	1296	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[5](C[5,5]Si[5,5]C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Si<5>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|O<2>,2|H<1>,7|C<3>}	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	127.7130	0.605	3	127.7130	0.366	3	127.7130	0.366	3	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:O-2:	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[5,5]H)(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	128.4520	0.000	1	128.4520	0.000	1	128.4520	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|H<1>,1|O<1>,4|C<3>}	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	121.6530	0.000	1	121.6530	0.000	1	122.5420	2.045	4	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	124.5990	0.000	1	124.5990	0.000	1	122.5420	2.045	4	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	121.9580	0.658	2	121.9580	0.432	2	122.5420	2.045	4	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	128.8330	0.000	1	128.8330	0.000	1	128.8330	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:S-2:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC){1|H<1>,1|O<1>,4|C<3>}	132.7660	0.000	1	132.7660	0.000	1	132.7660	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	123.1310	0.143	2	123.1310	0.020	2	123.1310	0.020	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){1|C<4>,3|C<3>}	130.5110	0.047	2	127.3948	13.058	4	127.3948	13.058	4	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	124.2785	0.573	2	127.3948	13.058	4	127.3948	13.058	4	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){4|C<3>}	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(NN){5|C<3>}	125.1840	0.000	1	125.1840	0.000	1	125.1840	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	123.5390	0.000	1	127.8080	36.449	2	127.8080	36.449	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,2|H<1>,5|C<3>}	132.0770	0.000	1	127.8080	36.449	2	127.8080	36.449	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	126.5540	0.000	1	126.5540	0.000	2	126.5540	0.000	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	126.5540	0.000	1	126.5540	0.000	2	126.5540	0.000	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(NH){1|O<1>,3|C<3>}	122.3220	0.000	1	122.3220	0.000	1	122.3220	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,4|C<3>}	133.8510	0.000	1	133.8510	0.000	1	133.8510	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	121.6160	0.000	1	121.9360	0.205	2	121.9360	0.205	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(N[5]Si[5]C){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	122.2560	0.000	1	121.9360	0.205	2	121.9360	0.205	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	132.4690	0.490	3	132.4690	0.241	3	132.4690	0.241	3	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:S-2:	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	131.6030	0.000	1	131.6030	0.000	1	131.6030	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|H<1>,3|C<3>}	127.5983	1.338	3	127.5983	1.791	3	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CN){1|H<1>,3|C<3>}	125.5500	0.000	1	125.5500	0.000	1	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CN){3|C<3>}	127.1330	0.000	1	127.1330	0.000	1	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CN){1|C<2>,3|C<3>}	125.5990	0.000	1	125.5990	0.000	1	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CN){1|C<2>,5|C<3>}	127.8130	0.000	1	127.8265	0.000	2	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CN){1|C<2>,5|C<3>}	127.8400	0.000	1	127.8265	0.000	2	127.0913	1.434	8	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	129.9750	0.000	1	129.9750	0.000	1	129.6735	0.182	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	129.3720	0.000	1	129.3720	0.000	1	129.6735	0.182	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]Ru)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]Ru)(C[5]C[5]S){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ru<8>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(SC){1|Ru<8>,1|N<2>,2|C<3>}	119.8680	0.000	1	119.8680	0.000	1	119.8680	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|C<4>,1|O<1>,2|C<3>}	128.0700	0.000	1	128.0700	0.000	1	128.9465	1.537	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	129.8230	0.000	1	129.8230	0.000	1	128.9465	1.537	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Mo)(OMo)	C[5](C[6a]C[6a]2)(C[5]N[5]H)(C[5]N[5]O){1|Mo<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Mo)(OMo){1|H<1>,3|C<3>}	126.7930	0.000	1	126.7930	0.000	1	126.7930	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:S-2:	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn)	C[5](C[6a]C[6a]2)(C[5]N[5]S)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SZn){1|C<4>,4|C<3>}	130.9695	1.059	2	130.9695	1.121	2	130.9695	1.121	2	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:Se-2:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(SeZn){1|C<4>,4|C<3>}	130.6720	0.065	2	130.6720	0.004	2	130.9717	0.272	3	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:Se-2:	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn)	C[5](C[6a]C[6a]2)(C[5]N[5]Se)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(SeZn){1|C<4>,2|C<3>}	131.5710	0.000	1	131.5710	0.000	1	130.9717	0.272	3	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	N[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:S[5]-2:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a])	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[5]N[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]N[5,5a]C[6a])(C[6a]C[6a]2)(S[5]C[5,5a]){1|N<3>,2|H<1>,5|C<3>}	126.6670	0.000	1	126.6670	0.000	1	126.6670	0.000	1	127.2699	12.580	54	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	126.3850	0.000	1	126.3850	0.000	1	126.3850	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	122.3715	2.218	2	122.3715	4.920	2	123.1510	4.283	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	124.7100	0.000	1	124.7100	0.000	1	123.1510	4.283	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	125.2755	0.702	2	125.0715	1.204	6	124.6056	1.245	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.9695	1.342	4	125.0715	1.204	6	124.6056	1.245	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.1397	1.008	6	124.1397	1.015	6	124.6056	1.245	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	126.3705	0.204	2	126.3705	0.042	2	126.4002	0.910	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.0400	0.000	1	128.0400	0.000	1	126.4002	0.910	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	125.4280	0.000	1	125.8733	0.493	3	126.4002	0.910	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	126.6830	0.000	1	125.8733	0.493	3	126.4002	0.910	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	125.5090	0.000	1	125.8733	0.493	3	126.4002	0.910	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	130.1690	0.000	1	130.1690	0.000	1	125.6755	40.383	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.1820	0.000	1	121.1820	0.000	1	125.6755	40.383	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]N[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	131.4330	0.000	1	131.4330	0.000	1	131.4330	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	121.0750	0.509	4	121.0750	0.259	4	121.0750	0.259	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	124.3540	0.000	1	124.3540	0.000	1	123.5203	0.609	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	122.8070	0.000	1	122.8070	0.000	1	123.5203	0.609	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	123.4000	0.000	1	123.4000	0.000	1	123.5203	0.609	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|F<1>,8|C<3>}	125.6825	1.087	2	125.6825	1.181	2	125.0410	1.825	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	123.7580	0.000	1	123.7580	0.000	1	125.0410	1.825	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.9220	0.000	1	127.9220	0.000	1	127.9220	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:B[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]F)2{1|B<3>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2){2|F<1>,6|C<3>}	125.8370	0.000	1	125.8370	0.000	1	125.8370	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	128.3733	0.341	3	127.9664	0.263	9	127.8494	0.240	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	128.3670	0.000	1	127.9664	0.263	9	127.8494	0.240	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.6422	0.415	5	127.9664	0.263	9	127.8494	0.240	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.7990	0.000	1	127.7990	0.000	1	127.8494	0.240	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.6488	0.483	5	127.6488	0.234	5	127.8494	0.240	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.4630	0.000	1	126.4630	0.000	1	126.1040	0.258	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.7450	0.000	1	125.7450	0.000	1	126.1040	0.258	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	128.5450	1.187	3	128.5450	1.409	3	128.5450	1.409	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C){4|C<3>}	125.9160	0.000	1	125.9160	0.000	1	128.5384	2.544	7	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC){4|C<3>}	128.2930	0.000	1	128.2930	0.000	1	128.5384	2.544	7	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	126.9770	0.000	1	129.1120	1.671	5	128.5384	2.544	7	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	129.6457	0.573	4	129.1120	1.671	5	128.5384	2.544	7	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	127.5365	0.084	2	127.5365	0.007	2	127.5365	0.007	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:B[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2){2|F<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|Br<1>,2|F<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	124.5590	0.000	1	124.5590	0.000	1	124.5590	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	126.8575	0.227	2	127.4708	1.175	6	127.0291	1.269	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](B[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,7|C<3>}	127.7775	1.251	4	127.4708	1.175	6	127.0291	1.269	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.5873	1.072	6	126.5873	1.149	6	127.0291	1.269	12	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	123.6455	0.699	2	123.6455	0.489	2	125.2543	5.166	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	129.6820	0.000	1	129.6820	0.000	1	125.2543	5.166	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	124.6360	0.000	1	124.8510	0.036	3	125.2543	5.166	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	125.0000	0.000	1	124.8510	0.036	3	125.2543	5.166	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	124.9170	0.000	1	124.8510	0.036	3	125.2543	5.166	6	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.8440	0.000	1	127.8440	0.000	1	125.0405	15.719	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	122.2370	0.000	1	122.2370	0.000	1	125.0405	15.719	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:N-3:	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	129.1970	0.000	1	129.1970	0.000	1	129.1970	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6,6]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	124.6190	0.000	1	124.6190	0.000	1	124.4777	0.280	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	123.8920	0.000	1	123.8920	0.000	1	124.4777	0.280	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,6|C<3>}	124.9220	0.000	1	124.9220	0.000	1	124.4777	0.280	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:B[5]-3:	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	126.1700	0.000	1	126.1700	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	124.7443	0.384	3	124.7443	0.148	3	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	127.1120	0.000	1	127.1120	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	127.2860	0.000	1	127.2860	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	125.3320	0.000	1	125.3320	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	124.3280	0.000	1	124.3280	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	125.3340	0.000	1	125.3340	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	127.6690	0.000	1	125.6937	3.689	3	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	124.7060	1.235	2	125.6937	3.689	3	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	126.2190	0.000	1	126.2190	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	123.4630	1.714	2	123.4630	2.938	2	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	123.1110	0.000	1	123.1110	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	129.0490	0.000	1	129.0490	0.000	1	125.4224	2.945	17	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	124.9010	0.000	1	124.9010	0.000	1	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	123.0900	0.000	1	124.5293	1.576	3	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	125.2490	0.212	2	124.5293	1.576	3	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	125.1414	2.406	5	125.1414	5.788	5	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	128.9850	0.000	1	128.9850	0.000	1	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	129.3774	0.708	5	129.3774	0.501	5	126.6712	7.062	15	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	129.6570	0.000	1	129.6570	0.000	1	129.6570	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	129.2680	0.000	1	129.2680	0.000	1	129.2680	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	127.6810	0.000	1	127.6810	0.000	1	127.6810	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.7549	2.474	8	121.7549	6.121	8	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	124.4060	1.166	6	124.4060	1.360	6	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	123.7397	1.332	12	123.7397	1.774	12	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<4>,2|F<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	122.2205	1.585	2	122.2205	2.511	2	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	120.6780	1.240	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	121.6685	0.466	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	122.2625	0.148	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	120.9515	0.387	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	124.4980	0.389	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	120.6880	0.740	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	121.4105	0.240	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	121.6115	1.353	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	122.5358	0.284	4	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	122.8650	0.000	1	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	121.7797	1.241	12	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	121.5800	1.106	2	121.8589	1.413	35	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	121.4290	2.106	2	121.3605	2.380	10	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	121.3434	1.557	8	121.3605	2.380	10	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	118.7775	0.564	2	118.7775	0.318	2	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	122.8350	0.799	6	124.8394	2.139	50	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	123.3080	0.544	4	124.8394	2.139	50	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	125.1932	1.083	23	124.8394	2.139	50	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	125.8825	1.257	13	124.8394	2.139	50	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	123.9528	0.882	4	124.8394	2.139	50	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ge<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	118.3415	1.133	11	118.3415	1.284	11	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Se<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	121.7610	0.205	2	121.7610	0.042	2	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	117.4700	0.061	2	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	118.6810	0.687	2	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	119.3778	0.380	10	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	118.0170	0.967	2	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	118.7913	2.228	6	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	119.6542	0.915	22	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	118.6520	1.570	9	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	120.7320	0.000	1	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.5150	1.207	3	119.2000	1.576	57	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	117.8800	0.000	1	117.8800	0.000	1	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	118.9730	1.091	4	118.9730	1.191	4	121.7072	7.447	200	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2){1|Mn<8>,2|C<4>,2|H<1>,6|C<3>}	127.0925	0.363	2	127.0925	0.132	2	126.6358	0.730	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N){2|H<1>,6|C<3>}	127.6020	0.407	2	127.6020	0.166	2	126.6358	0.730	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	126.5270	1.342	2	126.1615	0.528	6	126.6358	0.730	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:B[5]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	125.9788	0.381	4	126.1615	0.528	6	126.6358	0.730	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	129.6220	0.000	1	129.6220	0.000	1	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	117.9040	0.000	1	117.9040	0.000	1	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	118.1020	0.000	1	118.1020	0.000	1	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	126.7640	0.580	2	126.7640	0.336	2	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	126.3534	0.903	12	126.3534	0.816	12	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	125.9671	1.193	14	125.9671	1.422	14	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	127.3480	0.748	6	127.3480	0.559	6	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	121.4420	0.000	1	121.4420	0.000	1	125.9070	5.559	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:P[5]-3:	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn)	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2){2|Mn<6>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|P<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn){1|Mn<6>,2|H<1>,5|C<3>}	121.0610	1.141	2	121.0610	1.302	2	121.0610	1.302	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]){1|B<4>,1|O<1>,2|H<1>,6|C<3>}	128.6880	0.000	1	128.6880	0.000	1	128.6880	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C-3:	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	128.1500	0.000	1	128.1500	0.000	1	128.1500	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	127.7280	0.000	1	127.7280	0.000	1	127.7280	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:B[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2){1|Mn<8>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	126.5635	1.279	2	126.5635	1.636	2	124.5119	3.108	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:B[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]N){2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	124.7760	0.409	2	124.7760	0.167	2	124.5119	3.108	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:B[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Pt<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<3>,2|H<1>,7|C<3>}	125.7505	0.640	2	123.7400	2.808	6	124.5119	3.108	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:B[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]Pt){2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Pt<4>,2|H<1>,7|C<3>}	122.7348	0.708	4	123.7400	2.808	6	124.5119	3.108	10	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<2>,3|C<3>}	123.5630	0.000	1	123.5630	0.000	1	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	125.2130	0.000	1	125.2130	0.000	1	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	125.1180	0.000	1	125.1180	0.000	1	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(COO){4|C<3>}	127.7597	1.002	4	127.7597	1.003	4	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){6|C<3>}	124.6380	0.287	2	125.1608	1.049	4	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){1|H<1>,5|C<3>}	125.6835	1.404	2	125.1608	1.049	4	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	124.0947	0.942	7	124.0947	0.887	7	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]H){6|C<3>}	123.1885	0.641	2	123.1885	0.411	2	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	123.6620	0.000	1	123.6620	0.000	1	124.9656	2.932	21	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2{9|C<3>}	127.6785	1.947	2	127.6785	3.790	2	127.6785	3.790	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6])	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]N[6]){1|Co<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	127.9345	0.561	2	127.9345	0.314	2	128.6350	1.629	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	130.0360	0.000	1	130.0360	0.000	1	128.6350	1.629	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.1570	2.034	2	124.1570	4.136	2	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.9453	0.732	12	127.9453	0.536	12	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	130.0630	0.000	1	130.0630	0.000	1	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.2606	0.718	14	129.2606	0.516	14	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	130.9742	0.555	6	130.9742	0.308	6	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	119.1240	0.000	1	119.1240	0.000	1	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	122.1030	0.000	1	122.1030	0.000	1	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	120.6830	0.000	1	120.6830	0.000	1	128.1874	7.924	38	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH){3|C<3>}	131.5870	0.000	1	131.5870	0.000	1	131.5870	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[5]C[5]2){1|N<3>,3|H<1>,5|C<3>}	130.2185	2.132	2	130.2185	4.545	2	130.2185	4.545	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[6]-3:	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2)	C[5](C[5]C[5]N[6])(C[6a]C[6a]2)(C[5]N[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])(N[6]C[6]2){3|H<1>,6|C<3>}	128.6800	0.000	1	128.6800	0.000	1	128.6800	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Cl<1>,1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Cl<1>,1|Si<4>,2|H<1>,4|C<3>}	120.0225	0.504	2	120.4197	0.311	4	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Si<4>,2|H<1>,5|C<3>}	120.8170	0.221	2	120.4197	0.311	4	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	127.9660	0.000	1	125.1618	3.819	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	124.6065	0.117	2	125.1618	3.819	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	126.7680	0.451	2	125.1618	3.819	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	123.4220	1.181	4	125.1618	3.819	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,2|H<1>,5|C<3>}	127.2150	0.000	1	125.1618	3.819	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	124.0570	0.000	1	125.6727	2.888	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	126.4805	1.364	2	125.6727	2.888	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	127.7900	0.000	1	127.7900	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	124.9760	0.000	1	127.7717	6.128	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	129.1695	0.729	2	127.7717	6.128	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	127.2640	0.000	1	127.2640	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	130.5630	0.000	1	130.5630	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,5|C<3>}	128.5895	0.803	2	128.5895	0.644	2	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,2|H<1>,5|C<3>}	126.8170	0.000	1	126.8170	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	122.1420	0.590	2	122.1420	0.348	2	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	122.7840	1.346	2	126.9175	7.259	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	128.8960	0.042	2	126.9175	7.259	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	127.6358	1.919	6	126.9175	7.259	10	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){2|H<1>,5|C<3>}	125.9373	0.236	3	125.9373	0.056	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	125.9610	0.000	1	125.9610	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|N<3>,2|H<1>,4|C<3>}	129.0827	0.046	3	129.0827	0.002	3	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	129.4840	0.000	1	129.4840	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	129.3350	0.000	1	129.3350	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,4|C<3>}	129.0060	0.000	1	129.0060	0.000	1	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	131.3064	1.034	10	130.9295	1.179	18	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	129.6915	0.894	2	130.9295	1.179	18	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	131.3090	0.000	1	130.9295	1.179	18	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	130.3535	1.042	4	130.9295	1.179	18	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	131.5610	0.000	1	130.9295	1.179	18	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<1>,2|H<1>,4|C<3>}	131.5525	0.781	4	131.5525	0.610	4	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	118.8740	0.427	2	118.8740	0.182	2	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	120.2610	1.867	2	120.2610	3.485	2	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	122.5535	0.073	2	122.5535	0.005	2	127.1298	14.403	76	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	128.1573	0.321	3	128.1573	0.103	3	128.1573	0.103	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	124.9160	0.000	1	124.9160	0.000	1	124.9160	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	129.5340	0.000	1	129.5340	0.000	1	128.7480	1.236	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	127.9620	0.000	1	127.9620	0.000	1	128.7480	1.236	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[6a]C[6a]2)(N[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	128.5923	0.508	3	128.5923	0.258	3	128.5923	0.258	3	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	129.1365	0.022	2	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	129.0590	0.000	1	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<6>,1|C<4>,2|H<1>,4|C<3>}	130.2839	0.588	8	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,1|C<4>,2|H<1>,4|C<3>}	130.7143	1.376	16	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	130.6531	1.237	8	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	130.4542	1.555	9	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	128.9000	0.000	1	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,1|C<4>,2|H<1>,4|C<3>}	128.3045	2.565	2	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	130.0510	0.274	2	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	129.7570	0.000	1	130.3143	1.757	50	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|C<4>,3|H<1>,4|C<3>}	131.5408	0.918	8	131.5408	0.843	8	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	131.0255	0.993	4	130.5881	1.815	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	130.3882	1.271	4	130.5881	1.815	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|C<4>,3|H<1>,4|C<3>}	131.6150	1.690	2	130.5881	1.815	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	129.0860	1.324	2	130.5881	1.815	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	131.0704	1.112	9	131.0704	1.236	9	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,3|H<1>,4|C<3>}	130.7091	1.022	11	130.7091	1.044	11	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	126.6990	0.000	1	129.6222	3.006	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,3|H<1>,4|C<3>}	130.2068	1.093	5	129.6222	3.006	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re){1|C<4>,3|H<1>,4|C<3>}	130.2362	1.648	6	130.2362	2.717	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru){1|C<4>,2|H<1>,4|C<3>}	129.6640	0.000	1	129.6640	0.000	1	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){2|C<4>,2|H<1>,4|C<3>}	130.3805	0.016	2	131.3673	1.110	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,2|H<1>,5|C<3>}	129.9340	1.037	3	131.3673	1.110	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,3|H<1>,4|C<3>}	131.7594	0.795	16	131.3673	1.110	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Co<4>,3|H<1>,4|C<3>}	129.5456	0.421	8	129.5456	0.177	8	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Co<4>,3|H<1>,4|C<3>}	130.1770	1.513	4	130.1770	2.290	4	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,3|H<1>,4|C<3>}	127.5860	2.715	2	128.7353	2.152	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<3>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<3>,1|C<4>,2|H<1>,4|C<3>}	128.6235	1.052	4	128.7353	2.152	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	128.7795	1.519	4	128.7353	2.152	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<5>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cu<5>,1|C<4>,2|H<1>,4|C<3>}	130.0195	0.241	2	128.7353	2.152	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<4>,2|H<1>,5|C<3>}	129.8227	2.132	3	129.6240	2.538	5	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<6>,3|H<1>,4|C<3>}	129.3260	0.875	2	129.6240	2.538	5	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Fe){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Fe<5>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Fe<5>,1|P<3>,2|H<1>,4|C<3>}	128.1173	0.925	9	128.1173	0.856	9	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Co<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){4|C<3>,4|H<1>}	133.3915	1.420	4	133.3915	2.017	4	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){3|H<1>,5|C<3>}	132.7090	1.345	3	132.7562	0.938	5	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Cu<6>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Cu){4|C<3>,4|H<1>}	132.8270	0.345	2	132.7562	0.938	5	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	132.2010	1.520	4	132.2648	1.055	23	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){3|H<1>,5|C<3>}	132.2782	0.951	19	132.2648	1.055	23	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){3|H<1>,5|C<3>}	132.1815	0.392	2	133.0399	0.436	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){4|C<3>,4|H<1>}	133.2116	0.565	10	133.0399	0.436	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ni){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Ni<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ni<4>,3|H<1>,4|C<3>}	128.8259	0.542	11	128.8259	0.294	11	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,2|H<1>,5|C<3>}	126.2380	0.000	1	128.0750	1.388	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Pd){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Pd<4>,3|H<1>,4|C<3>}	128.4424	0.850	5	128.0750	1.388	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Re){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Re<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Re<6>,3|H<1>,4|C<3>}	126.3578	0.798	6	126.3578	0.637	6	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Ru<6>,3|H<1>,4|C<3>}	135.1440	0.000	1	135.1440	0.000	1	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,2|H<1>,5|C<3>}	128.0480	0.235	3	128.9183	0.665	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,3|H<1>,4|C<3>}	129.0673	0.655	16	128.9183	0.665	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Zn<4>,1|C<4>,2|H<1>,4|C<3>}	129.0320	2.027	2	128.9183	0.665	21	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,2|H<1>,5|C<3>}	130.7920	0.518	2	129.8217	2.289	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Zn){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Zn<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){1|Zn<4>,3|H<1>,4|C<3>}	129.6276	1.586	10	129.8217	2.289	12	130.3537	3.464	263	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	130.5595	1.279	2	130.5595	1.636	2	131.9396	3.481	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Co<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	131.3380	0.000	1	131.3380	0.000	1	131.9396	3.481	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	133.6205	1.570	2	133.6205	2.466	2	131.9396	3.481	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](C[6a]C[6,6a]N[6a])(C[5]C[6a]N[5])(C[5]N[5]H){1|H<1>,6|C<3>}	129.6320	0.000	1	129.6320	0.000	1	129.6320	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]P[5]Mn){1|Mn<6>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Mn<6>,1|P<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])2(C[6a]C[6a]2){2|Mn<6>,2|H<1>,6|C<3>}	125.4315	0.077	2	125.4315	0.006	2	125.4315	0.006	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	129.7145	0.370	2	129.7145	0.137	2	130.5282	1.991	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Co<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]Co){2|H<1>,6|C<3>}	132.9680	0.000	1	132.9680	0.000	1	130.5282	1.991	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]H){2|H<1>,6|C<3>}	130.1220	0.468	2	130.1220	0.219	2	130.5282	1.991	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|Pd<4>,2|H<1>,7|C<3>}	129.5355	0.906	2	129.5355	0.820	2	127.6520	5.041	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	125.7685	0.334	2	125.7685	0.112	2	127.6520	5.041	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	130.3083	1.032	3	130.0770	0.924	4	130.0770	0.924	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	129.3830	0.000	1	130.0770	0.924	4	130.0770	0.924	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){1|N<2>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	129.5840	0.000	1	129.7825	0.079	2	129.7825	0.079	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2)	C[5](C[5]N[5,6a]C[6])(N[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6]C[6]2){2|H<1>,2|N<3>,2|O<1>,4|C<3>}	129.9810	0.000	1	129.7825	0.079	2	129.7825	0.079	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	129.0760	0.000	1	129.0760	0.000	1	129.0760	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	127.5710	0.000	1	127.5710	0.000	1	128.1525	0.676	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	128.7340	0.000	1	128.7340	0.000	1	128.1525	0.676	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(P[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	125.6713	1.272	6	125.6713	1.618	6	125.2332	2.133	8	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(P[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	123.9190	1.495	2	123.9190	2.234	2	125.2332	2.133	8	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5,6]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]){1|B<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]2){1|B<4>,2|H<1>,5|C<3>}	129.6920	0.000	1	129.6920	0.000	1	129.6920	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	131.5640	0.575	4	131.5640	0.330	4	131.5640	0.330	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd){1|Pd<4>,3|C<3>}	127.5840	0.724	2	127.5840	0.524	2	127.5840	0.524	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<3>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(C[5]B[5]Si)(BC[6a]2){1|Si<4>,3|C<3>}	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	128.2960	0.000	1	128.2960	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	127.8677	1.211	3	128.5415	2.794	4	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	130.5630	0.000	1	128.5415	2.794	4	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCO){1|C<4>,1|H<1>,2|C<3>}	128.8070	0.000	1	128.8070	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|H<1>,3|C<3>}	126.7820	0.000	1	126.7820	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|F<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	129.5010	0.000	1	128.9700	0.270	3	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|H<1>,3|C<3>}	128.7045	0.343	2	128.9700	0.270	3	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	126.0983	0.099	3	126.0983	0.010	3	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H){1|H<1>,3|C<3>}	125.7510	0.000	1	125.7510	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H){1|H<1>,3|C<3>}	127.3280	0.000	1	127.3280	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	126.9286	0.896	14	126.9286	0.803	14	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	128.2905	2.256	2	128.2905	5.091	2	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CCC){1|H<1>,5|C<3>}	127.9565	0.753	2	127.9565	0.567	2	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	129.3990	0.000	1	129.3990	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CCC){1|O<1>,3|C<3>}	129.1610	0.000	1	129.1610	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(COO){1|C<4>,1|O<1>,2|C<3>}	130.2560	0.000	1	130.2560	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,1|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O){3|C<3>}	129.3880	0.000	1	129.3880	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{1|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C){1|C<2>,3|C<3>}	125.0470	0.000	1	125.0470	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<4>,4|C<3>}	123.1510	0.000	1	125.0173	2.627	3	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){4|C<3>}	125.9505	0.169	2	125.0173	2.627	3	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	124.2090	0.000	1	124.2090	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	127.6120	0.000	1	127.6120	0.000	1	127.3478	2.645	43	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]C[5]H){8|C<3>}	C[6a](C[6a]C[6a]2)2(C[5]C[5]2){3|H<1>,8|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2)(C[5]C[5]C){1|H<1>,7|C<3>}	127.9165	0.945	2	127.9165	0.894	2	127.9165	0.894	2	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>}	132.2140	0.000	1	132.2140	0.000	1	132.2140	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2){1|C<4>,4|C<3>}	127.1220	0.000	1	127.1220	0.000	1	126.6040	4.474	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCC){1|C<2>,1|O<1>,2|C<3>}	127.6010	0.000	1	127.6010	0.000	1	126.6040	4.474	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]C){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	123.2410	0.000	1	123.2410	0.000	1	126.6040	4.474	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN){1|Pd<4>,3|C<3>}	127.5280	1.902	2	127.5280	3.618	2	126.6040	4.474	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|C<3>,2|C<4>}	126.2480	0.168	2	126.2480	0.028	2	128.0078	2.966	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(COO){1|H<1>,4|C<3>}	130.0590	0.000	1	130.0590	0.000	1	128.0078	2.966	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	129.1630	0.000	1	129.1630	0.000	1	128.0078	2.966	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH){1|O<1>,1|S<4>,2|C<3>}	128.3210	0.000	1	128.3210	0.000	1	128.0078	2.966	5	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:P-3:	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2)	C[5](C[6a]C[6a]2)(C[5]N[5]P)(N[5]N[5]W){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,1|W<6>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(PC[6a]2){1|W<6>,4|C<3>}	127.9890	0.000	1	127.9890	0.000	1	127.9890	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	129.2150	0.000	1	129.2150	0.000	1	129.2150	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	129.1070	0.174	3	128.4267	1.871	4	128.4267	1.871	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	126.3860	0.000	1	128.4267	1.871	4	128.4267	1.871	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]N[5,6a]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]N[5,6a]C[6a])(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	132.8360	0.000	1	132.8360	0.000	1	132.8360	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|O<2>,3|C<3>}	125.7410	0.000	1	125.7410	0.000	1	125.7410	0.000	1	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	O[4,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	O[4,5]-3:C[5]-3:C[6a]-3:	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]O[4,5]C[5])(C[6a]C[6a]H)2	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2)	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2){1|Ga<4>,2|H<1>,2|O<3>,3|I<1>,4|C<3>}	C[6a](C[5]O[4,5]C[5])(C[6a]C[6a]H)2{1|Ga<4>,1|Ga<5>,1|O<3>,2|C<3>,2|H<1>}	C[5](O[4,5]Ga[4,4,5,5]Ga[4])(C[5]O[4,5]C[6a])(C[6a]C[6a]2){1|Ga<4>,2|H<1>,2|O<3>,3|I<1>,4|C<3>}	129.1680	0.846	4	129.1680	0.715	4	129.1680	0.715	4	126.7629	15.883	919	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	129.4110	0.000	1	129.4110	0.000	1	129.4110	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	128.7287	0.287	3	128.7287	0.082	3	128.7287	0.082	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	129.1630	0.000	1	129.1630	0.000	1	129.1630	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	127.3400	0.522	2	127.3400	0.272	2	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	128.0660	0.437	2	128.0660	0.191	2	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	130.6240	0.000	1	130.6240	0.000	1	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	127.0750	0.000	1	127.0750	0.000	1	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	127.5690	0.000	1	127.5690	0.000	1	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	127.3310	0.000	1	127.3310	0.000	1	127.9264	1.382	8	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	129.0760	0.000	1	129.0760	0.000	1	129.0760	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	131.6505	1.133	2	131.6505	1.285	2	131.6767	0.430	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	131.7030	0.034	2	131.7030	0.001	2	131.6767	0.430	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3){1|H<1>,1|O<1>,4|C<3>}	130.5950	0.000	1	130.5950	0.000	1	130.5950	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:B[5]-4:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	126.0155	1.737	2	126.0155	3.018	2	126.0155	3.018	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:P[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO){2|H<1>,6|C<3>}	123.9405	3.004	2	123.9405	9.027	2	123.9405	9.027	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3){2|C<4>,5|H<1>,6|C<3>}	126.6740	0.000	1	126.6740	0.000	1	126.6740	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Si<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3){1|Si<4>,5|C<3>}	127.2500	0.068	2	127.2500	0.005	2	127.2500	0.005	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(B[5]C[5]Cl)(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]Si){1|Cl<1>,1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(B[5]C[5]Cl)(SiC3){1|Si<4>,3|C<3>}	127.6465	0.524	2	127.6465	0.275	2	127.6465	0.275	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|C<4>,3|C<3>}	126.2130	0.406	2	126.2130	0.165	2	124.9670	4.740	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CH3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	122.4750	0.000	1	122.4750	0.000	1	124.9670	4.740	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(PC[6a]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]P){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])2(PC[6a]CC){1|H<1>,5|C<3>}	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|Si<4>,3|C<3>}	127.4575	0.354	2	127.4575	0.126	2	127.4575	0.126	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	128.4135	0.107	2	128.4135	0.011	2	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	126.6700	0.000	1	126.6700	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	129.9887	0.613	9	129.9887	0.376	9	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	128.1150	0.000	1	128.1150	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	135.8240	0.000	1	135.8240	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	130.4570	0.000	1	130.4570	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	130.6840	0.000	1	130.6840	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	130.5410	0.000	1	130.5410	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	130.4960	0.000	1	130.4960	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	129.0840	0.000	1	129.0840	0.000	1	129.9261	3.254	19	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	130.8350	0.000	1	130.8350	0.000	1	130.8350	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:S[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	132.3020	0.000	1	132.3020	0.000	1	132.3020	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<3>,2|C<3>,2|F<1>}	C[5](B[5]C[6a]C[5])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<3>,4|C<3>}	126.2750	0.000	1	126.2750	0.000	1	126.2750	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(B[5]C[5]N)(SiC3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|B<4>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(B[5]C[5]N)(SiC3){1|Si<4>,1|B<4>,2|C<3>}	121.2890	0.000	1	121.2890	0.000	1	121.2890	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,2|H<1>}	129.3300	0.000	1	129.3300	0.000	1	126.6335	14.080	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])2(CH3){1|O<1>,5|C<3>}	130.3310	0.000	1	130.3310	0.000	1	126.6335	14.080	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	124.0910	0.000	1	124.0910	0.000	1	126.6335	14.080	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]P[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(CH3){1|C<4>,4|C<3>}	122.7820	0.000	1	122.7820	0.000	1	126.6335	14.080	4	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(PC[6a]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]P){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])2(PC[6a]CC){1|H<1>,5|C<3>}	127.5550	0.000	1	127.5550	0.000	1	127.5550	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(C[5]N[5]H){1|Co<6>,1|B<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CC[6a]HH){1|B<4>,1|H<1>,2|C<3>}	131.1005	1.218	6	131.1005	1.484	6	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Co)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.0150	0.000	1	127.0150	0.000	1	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Co<6>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Co<6>,1|C<4>,2|C<3>}	126.9950	0.000	1	126.2908	0.423	4	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	125.4420	0.000	1	126.2908	0.423	4	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	126.3630	0.204	2	126.2908	0.423	4	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{1|Pd<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|C<4>,1|H<1>,2|C<3>}	127.7350	0.000	1	127.1134	1.196	9	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CH3){1|Pd<4>,1|C<4>,2|C<3>}	127.0357	1.142	8	127.1134	1.196	9	128.1401	5.014	20	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,3|C<3>}	127.8720	0.000	1	127.8720	0.000	1	130.2200	11.026	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]N[5]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	132.5680	0.000	1	132.5680	0.000	1	130.2200	11.026	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(N[5]C[5]C){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	127.1420	0.000	1	127.1420	0.000	1	127.1420	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:B-4:	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3)	C[5](C[6a]C[6a]2)(C[5]N[5]B)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(BH3){1|C<4>,2|C<3>}	129.9867	0.439	3	129.9867	0.193	3	129.9867	0.193	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]C)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(CH3){1|H<1>,1|S<1>,4|C<3>}	131.0770	0.000	1	131.0770	0.000	1	131.0770	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	128.2920	0.000	1	128.2920	0.000	1	128.2796	0.536	5	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|O<2>,3|C<3>}	128.2765	0.845	4	128.2765	0.715	4	128.2796	0.536	5	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]Si)(P[5]C[5]Sr)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]Si)(P[5]C[5]Sr){1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Si<4>,1|Sr<6>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]Si)(SiC3){1|Sr<6>,3|C<3>}	126.4265	1.117	2	126.4265	1.247	2	126.4265	1.247	2	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])2(CH3)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(C[5]C[5]C){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cu<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])2(CH3){1|Cu<4>,1|H<1>,4|C<3>}	130.2170	0.000	1	130.2170	0.000	1	130.2170	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:P[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(P[5]C[5]Sn)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Sn<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Sn<4>,3|C<3>}	127.5750	0.000	1	127.5750	0.000	1	127.5750	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:B[5]-4:	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H)	C[5](N[5]C[6a]C[5])(C[5]B[5]N[5])(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])(B[5]O[5]2H){2|C<4>,6|C<3>}	131.3420	0.000	1	131.3420	0.000	1	131.3420	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:B-4:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3)	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]N[5]B){2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])(BH3){5|C<3>}	129.6970	0.000	1	129.6970	0.000	1	129.6970	0.000	1	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	130.4250	0.653	2	129.9217	0.973	3	129.9217	0.973	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	P[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[6a]C[6a]2)(C[5]C[5]C){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[5](C[5]P[5,6]C[6a])(C[5]C[5,6]C)(CH3){1|C<4>,1|P<3>,2|C<3>}	128.9150	0.000	1	129.9217	0.973	3	129.9217	0.973	3	128.4810	5.783	103	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	123.7780	0.000	1	123.7780	0.000	1	124.4060	0.789	2	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(O){1|H<1>,2|C<3>,2|C<4>}	125.0340	0.000	1	125.0340	0.000	1	124.4060	0.789	2	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	118.8520	0.000	1	118.8520	0.000	1	121.9710	4.619	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	123.3180	0.000	1	123.3180	0.000	1	121.9710	4.619	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	123.4670	0.000	1	123.4670	0.000	1	121.9710	4.619	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(O){1|C<4>,1|H<1>,3|C<3>}	122.2470	0.000	1	122.2470	0.000	1	121.9710	4.619	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br){4|C<3>}	128.1450	0.000	1	128.1450	0.000	1	128.1450	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	126.7630	0.000	1	126.7630	0.000	1	125.0515	4.562	11	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	124.7877	0.715	3	124.7877	0.511	3	125.0515	4.562	11	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H){4|C<3>}	125.6600	0.000	1	125.6600	0.000	1	125.0515	4.562	11	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	122.9825	0.457	4	122.9825	0.209	4	125.0515	4.562	11	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]O)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	128.4250	0.762	2	128.4250	0.581	2	125.0515	4.562	11	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	129.1030	0.000	1	129.1030	0.000	1	129.1030	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	121.9120	0.000	1	121.9120	0.000	1	121.9120	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){4|C<3>}	126.2360	0.000	1	126.2360	0.000	1	126.2360	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O)	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(O){2|C<4>,3|C<3>}	121.9090	0.000	1	121.9090	0.000	1	123.9878	2.282	5	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]OO)(O){1|O<2>,4|C<3>}	122.8660	0.000	1	122.8660	0.000	1	123.9878	2.282	5	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	125.0547	0.260	3	125.0547	0.068	3	123.9878	2.282	5	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:I-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]I){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(I){1|Si<4>,3|C<3>}	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>}	127.1850	0.000	1	127.1850	0.000	1	128.1857	1.902	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	126.8180	0.000	1	126.8180	0.000	1	128.1857	1.902	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H){1|O<1>,2|C<3>}	129.3700	0.173	2	129.3700	0.030	2	128.1857	1.902	4	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|C<4>,3|C<3>}	122.7180	0.000	1	122.7180	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(O){1|C<4>,2|C<3>,2|H<1>}	121.7640	0.000	1	121.7640	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|Br<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]BrH)(O){2|C<3>,3|H<1>}	125.2800	0.000	1	125.2800	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,3|C<3>}	124.0770	0.000	1	124.0770	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(O){1|S<2>,2|C<3>,2|H<1>}	122.4090	0.000	1	122.4090	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(O){1|H<1>,1|S<2>,3|C<3>}	122.2440	0.000	2	122.2440	0.000	2	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(O){1|O<2>,2|C<3>}	127.5890	0.000	1	127.5890	0.000	1	123.5406	4.026	8	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:I-1:	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S){1|N<2>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|I<1>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(I){1|S<4>,2|C<3>,2|H<1>}	127.8950	0.000	1	127.8950	0.000	1	127.8950	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:N[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CH)(H){1|S<4>,2|C<3>,2|H<1>}	127.9980	0.000	1	127.9980	0.000	1	127.9980	0.000	1	124.8926	6.481	41	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:N[5]-2:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5])	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]C){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a]H)(N[5]C[5]){4|C<3>}	124.7380	1.254	2	124.7380	1.574	2	124.7380	1.574	2	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:B[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-2:	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC)	C[5](C[6a]C[6a]2)(B[5]O[5]O)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC){1|O<2>,2|C<3>}	128.0340	0.000	1	128.0340	0.000	1	128.0340	0.000	1	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	128.9120	0.000	1	129.8885	1.907	2	129.8885	1.907	2	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]){1|O<1>,2|C<3>}	130.8650	0.000	1	129.8885	1.907	2	129.8885	1.907	2	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	134.4350	0.000	1	134.4350	0.000	1	130.3410	7.272	5	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|Cl<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	128.6310	0.000	1	128.6310	0.000	1	130.3410	7.272	5	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	127.9740	0.000	1	127.9740	0.000	1	130.3410	7.272	5	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	131.7110	0.000	1	131.7110	0.000	1	130.3410	7.272	5	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(OH){1|O<1>,2|C<3>}	128.9540	0.000	1	128.9540	0.000	1	130.3410	7.272	5	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(SC){1|O<1>,2|C<3>,2|F<1>}	128.6960	0.000	1	128.6960	0.000	1	128.6960	0.000	1	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(SC[6a]){1|H<1>,1|S<4>,3|C<3>}	128.0490	0.000	1	128.0490	0.000	1	128.0490	0.000	1	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C-4:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	132.0360	0.163	2	131.8200	0.173	4	131.8200	0.173	4	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C-4:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Rh)(C[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Rh<6>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[5](C[5]C[6a]N[5])(CC[6a]CH)(N[5]N[5]){2|Rh<6>,2|C<3>}	131.6040	0.554	2	131.8200	0.173	4	131.8200	0.173	4	129.5636	7.243	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:B[5]-4:C[6a]-3:	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){2|Cl<1>,1|B<3>,1|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	128.4700	0.000	1	128.4700	0.000	1	128.4700	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	128.2160	0.000	1	128.2160	0.000	1	128.9065	0.954	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	129.5970	0.000	1	129.5970	0.000	1	128.9065	0.954	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O){4|C<3>}	128.2590	0.000	1	128.2590	0.000	1	128.2590	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	127.2710	0.000	1	127.2710	0.000	1	127.2710	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|S<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	127.4885	0.655	2	127.4885	0.430	2	127.4885	0.430	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	128.0927	0.966	4	128.0927	0.933	4	128.0927	0.933	4	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.3950	0.000	1	127.3950	0.000	1	127.3950	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	128.3220	0.000	1	128.3220	0.000	1	128.3220	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.1750	0.000	1	125.1750	0.000	1	126.5455	3.757	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	127.9160	0.000	1	127.9160	0.000	1	126.5455	3.757	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.6764	1.097	8	125.6764	1.204	8	125.6764	1.204	8	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	126.1020	0.000	1	126.1020	0.000	1	126.1020	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	126.2845	1.033	2	126.2845	1.067	2	127.2370	2.460	4	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO){4|C<3>}	129.3480	0.000	1	129.3480	0.000	1	127.2370	2.460	4	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	127.0310	0.000	1	127.0310	0.000	1	127.2370	2.460	4	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	127.9060	0.000	1	128.0965	0.073	2	128.0965	0.073	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	128.2870	0.000	1	128.0965	0.073	2	128.0965	0.073	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO){4|C<3>}	131.6160	0.000	1	131.6160	0.000	1	131.6160	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	127.3246	1.723	8	127.3246	2.970	8	127.3246	2.970	8	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	126.1285	0.373	2	125.9900	1.218	6	125.9900	1.218	6	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	125.9207	1.401	4	125.9900	1.218	6	125.9900	1.218	6	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	128.4410	0.000	1	128.4410	0.000	1	128.4410	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Ge[5]-4:C[6a]-3:	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ge<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	123.8147	1.170	11	123.8147	1.369	11	123.8147	1.369	11	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.6753	0.751	6	124.6069	1.214	31	124.7360	1.285	42	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.8378	2.103	5	124.6069	1.214	31	124.7360	1.285	42	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	124.5286	0.903	20	124.6069	1.214	31	124.7360	1.285	42	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.0455	0.975	2	125.0455	0.951	2	124.7360	1.285	42	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	125.1122	1.290	9	125.1122	1.664	9	124.7360	1.285	42	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	129.5900	0.000	1	129.5900	0.000	1	129.5900	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	127.4180	0.000	1	127.4180	0.000	1	122.7123	16.618	3	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|C<2>,4|C<3>}	120.3595	0.142	2	120.3595	0.020	2	122.7123	16.618	3	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	132.3320	0.000	1	132.3320	0.000	1	132.3320	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:B-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]B){1|B<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(BC[6a]2){1|B<3>,3|C<3>}	123.9190	0.676	2	123.9190	0.457	2	123.9190	0.457	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH){4|C<3>}	123.2275	1.726	2	123.2275	2.979	2	123.2275	2.979	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<4>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(BC[6a]2N[6])(C[5]B[5]Si){1|Si<4>,1|N<3>,3|C<3>}	124.9430	0.000	1	124.9430	0.000	1	124.1285	1.327	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|B<4>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(BC[6a]N[6]C)(C[5]B[5]Si){1|Si<4>,1|N<3>,2|C<3>}	123.3140	0.000	1	123.3140	0.000	1	124.1285	1.327	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H){1|H<1>,3|C<3>}	128.5610	0.000	1	128.5610	0.000	1	129.3367	8.742	6	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO){1|C<4>,3|C<3>}	123.6780	0.000	1	123.6780	0.000	1	129.3367	8.742	6	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]O){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O){1|O<1>,1|S<4>,2|C<3>}	130.9452	0.495	4	130.9452	0.245	4	129.3367	8.742	6	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	130.0620	0.000	1	129.3263	0.425	4	129.4502	0.396	5	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	129.0810	0.526	3	129.3263	0.425	4	129.4502	0.396	5	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NHN){1|O<1>,2|C<3>}	129.9460	0.000	1	129.9460	0.000	1	129.4502	0.396	5	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO){1|C<4>,1|O<1>,2|C<3>}	129.3160	0.000	1	129.3160	0.000	1	128.9837	1.792	3	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	128.8175	1.849	2	128.8175	3.419	2	128.9837	1.792	3	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|C<4>,1|S<4>,3|C<3>}	128.4870	0.000	1	128.8675	0.290	2	128.8675	0.290	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5,5]HH)(COO){1|S<4>,4|C<3>}	129.2480	0.000	1	128.8675	0.290	2	128.8675	0.290	2	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a])(C[5]N[5,5]CH)(CCrO){1|C<4>,3|C<3>}	133.4740	0.000	1	133.4740	0.000	1	133.4740	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,4|C<3>}	129.4710	0.000	1	129.4710	0.000	1	129.4710	0.000	1	126.2000	6.295	128	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	126.5140	0.000	1	126.5140	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	128.0250	0.000	1	128.0250	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	127.9740	0.000	1	127.9740	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	125.4490	0.000	1	127.1510	5.794	2	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	128.8530	0.000	1	127.1510	5.794	2	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	127.2030	0.000	1	127.2030	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	127.9010	0.000	1	127.9010	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	127.8900	0.000	1	127.8900	0.000	1	127.4761	1.129	8	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO){4|C<3>}	130.9470	0.000	1	130.9470	0.000	1	130.9470	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3){4|C<3>}	125.7980	0.000	1	125.7980	0.000	1	125.7980	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]S){2|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	127.6970	0.000	1	127.6970	0.000	1	127.6970	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:Si[5]-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]Si[5]C[5])(C[6a]C[6a]2){1|Fe<10>,2|H<1>,4|C<3>,5|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2Fe)(Si[5]C[5]CC){2|H<1>,3|C<3>,3|C<4>}	124.7215	0.781	2	124.7215	0.611	2	124.7215	0.611	2	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:Si-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|I<1>,3|C<3>}	124.1100	0.000	1	124.1915	0.013	2	124.1915	0.013	2	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:Si-4:	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3)	C[5](C[5]C[6a]C[5])(C[5]Si[5]Si)(C[6a]C[6a]2){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Si<4>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(SiC3){1|C<4>,3|C<3>}	124.2730	0.000	1	124.1915	0.013	2	124.1915	0.013	2	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5,5]-4:C[3]-4:	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H)	C[5](C[5]C[5,5]C[3])(C[6a]C[6a]2)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[3]C[3]2H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,8|H<1>}	128.8130	0.000	1	128.8130	0.000	1	128.8130	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]C){1|Si<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCHH){1|Si<4>,3|C<3>}	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	129.7140	0.000	1	129.7140	0.000	1	129.9933	0.243	3	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	129.7030	0.000	1	129.7030	0.000	1	129.9933	0.243	3	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]O[5]O){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(CHHN){1|O<1>,2|C<3>}	130.5630	0.000	1	130.5630	0.000	1	129.9933	0.243	3	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	S[4,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]S[4,5]C[5])(C[6a]C[6a]F)2	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C[5](S[4,5]B[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]C){2|F<1>,3|C<4>,4|C<3>}	C[6a](C[5]S[4,5]C[5])(C[6a]C[6a]F)2{1|B<4>,2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	126.4000	0.000	1	126.4000	0.000	1	126.4000	0.000	1	127.2642	4.326	21	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[4,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O)	C[5](C[4,5]C[4,5]2)(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]2C[4,5])(C[5]C[4,5]C[6a])(O){1|C<4>,7|C<3>}	125.7870	0.000	1	125.7870	0.000	1	125.7870	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(O){1|C<4>,7|C<3>}	124.7135	0.036	2	124.7135	0.001	2	124.7135	0.001	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	126.7780	0.000	1	126.7780	0.000	1	126.7780	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[5,6]C[6a])(C[5]C[5,6]C[6a])(O){9|C<3>}	121.8695	0.105	2	121.8695	0.011	2	121.8695	0.011	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]O){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]2)(C[5]C[5,6]C[6a])(O){8|C<3>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	126.8500	0.434	2	126.8500	0.188	2	126.8500	0.188	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	125.1320	0.565	4	125.1320	0.319	4	125.1507	0.224	6	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H){1|H<1>,7|C<3>}	125.4680	0.000	1	125.4680	0.000	1	125.1507	0.224	6	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H){1|C<4>,1|O<1>,6|C<3>}	124.9080	0.000	1	124.9080	0.000	1	125.1507	0.224	6	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|C<4>,1|S<4>,6|C<3>}	129.2150	0.000	1	128.4767	0.709	3	128.7260	0.721	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|H<1>,7|C<3>}	128.1075	0.774	2	128.4767	0.709	3	128.7260	0.721	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	129.4740	0.000	1	129.4740	0.000	1	128.7260	0.721	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	126.5285	0.138	2	126.5285	0.019	2	126.5285	0.019	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H){6|C<3>}	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	128.6807	0.655	3	128.6807	0.429	3	128.6807	0.429	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H){2|C<4>,4|C<3>,4|H<1>}	127.8480	0.000	1	127.8480	0.000	1	127.8480	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	127.4140	0.000	1	127.4140	0.000	1	127.4140	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:O-1:	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[3,5]H)(C[5]C[3,5]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[6a]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	123.7300	0.000	1	123.7300	0.000	1	123.7300	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	121.6810	1.741	2	121.6810	3.031	2	121.9519	0.790	9	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	121.6350	0.000	1	121.6350	0.000	1	121.9519	0.790	9	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|C<3>,2|H<1>,4|C<4>}	123.1020	0.000	1	123.1020	0.000	1	121.9519	0.790	9	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	122.6580	0.000	1	122.6580	0.000	1	121.9519	0.790	9	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(O){2|H<1>,3|C<3>,3|C<4>}	121.7025	0.569	4	121.7025	0.324	4	121.9519	0.790	9	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[6a]C[5])(O){1|C<4>,2|O<2>,5|C<3>}	122.1140	0.000	1	122.1140	0.000	1	121.1473	0.704	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(O){8|C<3>}	120.6060	0.000	1	120.6060	0.000	1	121.1473	0.704	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]P[5]H)(C[5]C[6a]C[5])(O){1|C<4>,1|W<6>,6|C<3>}	120.7220	0.000	1	120.7220	0.000	1	121.1473	0.704	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[5,6]C[6a])(C[5]C[6a]C[5])(O){9|C<3>}	122.4250	0.000	1	122.4250	0.000	1	123.2982	2.835	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(O){1|O<2>,7|C<3>}	121.6200	0.000	1	121.6200	0.000	1	123.2982	2.835	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]O)(C[5]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]N[5,6]C[6a])(C[5]C[6a]C[5])(O){1|C<4>,7|C<3>}	125.4880	0.000	1	125.4880	0.000	1	123.2982	2.835	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O)	C[5](C[5]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O){5|C<3>}	123.6600	0.000	1	123.6600	0.000	1	123.2982	2.835	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	128.4700	0.535	2	128.4700	0.286	2	128.4700	0.286	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){1|O<2>,2|C<4>,4|C<3>}	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]C){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	125.2190	0.000	1	125.2190	0.000	1	125.2190	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|O<2>,6|C<3>}	121.0330	0.000	1	121.0330	0.000	1	124.7110	10.146	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	126.5500	0.000	1	126.5500	0.000	2	124.7110	10.146	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(O){5|C<3>}	126.5500	0.000	1	126.5500	0.000	2	124.7110	10.146	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){8|C<3>}	121.9670	0.000	1	122.2417	0.096	3	122.2417	0.096	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]Si[5]H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|C<3>,3|H<1>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(H){1|H<1>,7|C<3>}	122.3790	0.281	2	122.2417	0.096	3	122.2417	0.096	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])(H){1|N<3>,2|H<1>,5|C<3>}	125.4810	0.000	1	125.4810	0.000	1	126.1183	0.311	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5]S){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	126.4370	0.112	2	126.4370	0.012	2	126.1183	0.311	3	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|H<1>,1|O<1>,4|C<3>}	129.6690	0.000	1	129.6690	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	127.3860	0.000	1	127.3860	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	128.1840	0.000	1	128.1840	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	128.3210	0.000	1	128.4545	0.036	2	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])(H){1|O<1>,1|O<2>,4|C<3>}	128.5880	0.000	1	128.4545	0.036	2	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	127.1130	0.000	1	127.1130	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]N){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,4|C<3>}	128.9392	1.346	4	128.9392	1.813	4	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6]O[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	128.8980	0.000	1	128.8980	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|O<1>,4|C<3>}	129.6450	0.000	1	129.6450	0.000	1	128.6301	1.104	12	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])(H){1|C<4>,1|O<1>,4|C<3>}	126.8755	0.265	2	126.8755	0.070	2	127.0005	0.688	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(H){1|H<1>,1|S<4>,5|C<3>}	127.1255	1.389	2	127.1255	1.931	2	127.0005	0.688	4	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	N[5,6]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H)	C[5](N[5,6]C[5,6]N[6])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]C[6a])(H){1|C<4>,1|N<2>,5|C<3>}	128.8660	0.000	1	128.8660	0.000	1	128.8660	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	P[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H)	C[5](P[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]P[5]H)(C[5]C[6a]P[5])(H){1|H<1>,7|C<3>}	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	S[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:H-1:	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H)	C[5](S[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,7|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{1|B<4>,3|C<3>,3|H<1>}	C[5](B[5]C[6a]2C[5])(C[5]C[6a]S[5])(H){8|C<3>}	130.5505	0.018	2	130.5505	0.000	2	130.5505	0.000	2	125.6744	7.872	79	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a])(OC){1|C<4>,7|C<3>}	127.7510	0.000	1	127.7510	0.000	1	127.7510	0.000	1	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	130.3885	1.049	2	130.3885	1.100	2	129.6690	2.103	3	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-2:	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH)	C[5](C[5]C[5,5]O)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(OH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	128.2300	0.000	1	128.2300	0.000	1	129.6690	2.103	3	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]N[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	128.3780	0.000	1	128.3780	0.000	1	133.1467	4.868	7	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	C[5](C[5]C[5,6]O)(C[6a]C[6a]2)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	133.9415	0.732	6	133.9415	0.536	6	133.1467	4.868	7	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(C[5]C[5]S){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(SC){1|O<1>,2|H<1>,4|C<3>}	128.7940	0.000	2	128.7940	0.000	2	128.7940	0.000	2	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]S){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(NN){1|S<4>,2|H<1>,4|C<3>}	124.3170	0.000	1	124.3170	0.000	1	124.3170	0.000	1	130.7636	10.397	14	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,1|O<3>,2|C<3>,2|H<1>}	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	127.6090	0.000	1	127.6090	0.000	1	127.6090	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	128.7490	0.000	1	128.7490	0.000	1	127.9634	0.751	5	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.3993	0.552	3	127.7670	0.744	4	127.9634	0.751	5	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	128.8700	0.000	1	127.7670	0.744	4	127.9634	0.751	5	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	124.7760	0.000	1	124.7760	0.000	1	124.7760	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	127.3460	0.000	1	127.3460	0.000	1	127.7467	0.105	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	127.4080	0.000	1	127.4080	0.000	1	127.7467	0.105	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	127.8630	0.000	1	127.8630	0.000	1	127.7467	0.105	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	127.9310	0.324	2	127.9543	0.054	3	127.7467	0.105	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	128.0010	0.000	1	127.9543	0.054	3	127.7467	0.105	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	127.4225	1.292	2	127.4225	1.669	2	127.0838	0.739	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,6|C<3>}	126.7450	0.297	2	126.7450	0.088	2	127.0838	0.739	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	127.1075	1.381	2	127.1075	1.907	2	127.3407	1.576	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	126.4330	0.000	1	126.4330	0.000	1	127.3407	1.576	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	128.7150	0.000	1	128.7150	0.000	1	127.3407	1.576	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	126.7040	0.000	1	126.7040	0.000	1	126.5400	0.054	2	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	126.3760	0.000	1	126.3760	0.000	1	126.5400	0.054	2	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	126.2790	0.000	1	126.2790	0.000	1	125.9463	0.914	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]C)2{1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	128.2950	0.000	1	128.2950	0.000	1	125.9463	0.914	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	125.0830	0.000	1	125.5182	0.139	5	125.9463	0.914	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	125.6270	0.326	4	125.5182	0.139	5	125.9463	0.914	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	125.6760	0.256	2	125.6760	0.066	2	125.9463	0.914	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	125.2228	0.152	4	125.2228	0.023	4	125.2228	0.023	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	128.8110	0.000	1	128.8110	0.000	1	128.8110	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	128.5860	0.000	1	128.5860	0.000	1	128.5860	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH){6|C<3>}	127.2470	0.000	1	127.2470	0.000	1	127.2470	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CNO){6|C<3>}	125.6320	0.000	1	125.6320	0.000	1	125.6320	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:B[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|B<4>,2|H<1>,2|O<3>,4|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,1|O<3>,2|C<3>,2|H<1>}	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:B[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<4>,1|O<3>,2|C<3>,2|H<1>}	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	128.4980	0.000	1	128.4980	0.000	1	128.4980	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<4>,2|F<1>,4|C<3>}	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	126.1525	1.809	2	126.1525	3.274	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	127.3010	1.681	2	127.3010	2.827	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	125.1460	0.000	1	125.1460	0.000	1	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.2505	0.552	2	126.2505	0.305	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	124.3580	0.202	2	124.3580	0.041	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.6120	1.001	2	127.6120	1.003	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,2|H<1>,4|C<3>}	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.6400	0.908	2	126.6400	0.824	2	126.2903	1.906	13	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	128.1130	0.000	1	128.1130	0.000	1	128.1130	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:B[6a]-3:	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2)	C[5](C[5]C[5,5,6]B[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	128.1965	1.118	2	128.1965	1.250	2	128.1965	1.250	2	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C-3:	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH)	C[5](C[5]C[5,5,6]C)(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	128.1080	0.000	1	128.1080	0.000	1	128.1080	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	128.0240	0.000	1	128.0240	0.000	1	128.0240	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	129.4900	0.000	1	129.3327	0.150	3	128.1610	2.462	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	129.2540	0.513	2	129.3327	0.150	3	128.1610	2.462	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	126.2080	0.332	2	126.2080	0.110	2	128.1610	2.462	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	128.5520	0.000	1	128.5520	0.000	1	128.1610	2.462	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]){1|O<1>,3|C<4>,3|H<1>,5|C<3>}	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	124.7387	1.432	4	124.7387	2.050	4	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	129.5070	0.000	1	129.5070	0.000	1	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	128.8140	0.000	1	128.8140	0.000	1	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	124.1250	0.000	1	124.6357	0.196	3	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	124.9010	0.000	1	124.6357	0.196	3	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	124.8810	0.000	1	124.6357	0.196	3	125.6870	4.728	9	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	129.5880	0.000	1	129.5880	0.000	1	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	126.7207	1.900	4	126.4733	2.314	6	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	125.9785	0.005	2	126.4733	2.314	6	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	127.4870	3.485	2	126.7400	3.188	6	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	126.3665	0.842	4	126.7400	3.188	6	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	126.2100	0.000	1	126.2100	0.000	1	126.7913	2.792	14	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.4223	0.756	4	126.4223	0.572	4	126.7751	0.485	8	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	127.1280	0.478	4	127.1280	0.229	4	126.7751	0.485	8	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.2404	1.506	8	124.2404	2.269	8	124.2404	2.269	8	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|Si<4>,2|H<1>,6|C<3>}	124.7742	0.952	4	124.7742	0.906	4	124.7742	0.906	4	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	123.6350	0.472	2	123.6350	0.223	2	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	124.7800	0.444	2	124.7800	0.197	2	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	123.1830	0.000	1	123.6578	0.628	5	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	124.0417	0.833	3	123.6578	0.628	5	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,9|C<3>}	122.9810	0.000	1	123.6578	0.628	5	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	124.2025	0.455	2	124.2025	0.207	2	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	126.0750	0.543	2	125.4458	0.670	4	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|H<1>,4|C<3>}	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	124.8165	0.363	2	125.4458	0.670	4	124.3538	0.985	15	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	132.0960	0.000	1	132.0960	0.000	1	132.0960	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	127.0020	0.000	1	127.0020	0.000	1	129.5667	6.076	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	129.7800	0.000	1	129.7800	0.000	1	129.5667	6.076	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	131.9180	0.000	1	131.9180	0.000	1	129.5667	6.076	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	128.7915	0.163	2	128.7915	0.027	2	129.8582	1.087	5	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	130.5693	0.514	3	130.5693	0.264	3	129.8582	1.087	5	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	125.9910	0.000	1	125.9910	0.000	1	125.9910	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	129.0590	0.000	1	129.0590	0.000	1	129.5985	2.588	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	127.8730	0.000	1	127.8730	0.000	1	129.5985	2.588	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	129.4457	1.045	3	129.4457	1.091	3	129.5985	2.588	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	132.3220	0.000	1	132.3220	0.000	1	129.5985	2.588	6	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	128.6070	0.000	1	128.6070	0.000	1	128.6070	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:P[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:N[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[6,6]-4:C[5]-3:N[5]-3:	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[5]B[6,6]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](B[6,6]C[6,6]2H)(C[5]C[6a]N[5])(N[5]C[6a]C[5]){2|H<1>,4|C<4>,6|C<3>}	129.7910	0.000	1	129.7910	0.000	1	129.7910	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	126.0190	0.000	1	126.0190	0.000	1	127.4490	4.090	2	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)2	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C[6])(C[5]C[6a]C[5])(COO){1|Pd<5>,2|C<4>,6|C<3>}	128.8790	0.000	1	128.8790	0.000	1	127.4490	4.090	2	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.4560	0.000	1	127.4560	0.000	1	127.4560	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CCO){2|C<4>,5|C<3>}	125.4220	0.000	1	125.4220	0.000	1	128.8813	13.684	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]C[6a]N[5])(COO){1|H<1>,1|O<1>,4|C<3>}	132.7810	0.000	1	132.7810	0.000	1	128.8813	13.684	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(COO){1|S<4>,5|C<3>}	128.4410	0.000	1	128.4410	0.000	1	128.8813	13.684	3	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]C[6a])(COW){1|C<4>,5|C<3>}	130.0280	0.000	1	130.0280	0.000	1	130.0280	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[6a](C[5]N[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	129.5040	0.000	1	129.5040	0.000	1	129.5040	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	N[5]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|C<4>,6|C<3>}	129.5680	0.000	1	129.5680	0.000	1	129.5680	0.000	1	126.8333	4.394	154	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]O[5]H)(C[5]C[5,6]C[6a])(CH3){1|C<4>,5|C<3>}	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3){1|O<1>,7|C<3>}	128.3720	0.000	1	128.3720	0.000	1	128.3720	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	127.1580	0.000	1	127.1580	0.000	1	128.7013	1.956	3	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	129.4730	0.583	2	129.4730	0.339	2	128.7013	1.956	3	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	128.3640	0.000	1	128.3640	0.000	1	128.2980	1.000	4	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	128.7550	1.271	2	128.7550	1.616	2	128.2980	1.000	4	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){6|C<3>}	127.3180	0.000	1	127.3180	0.000	1	128.2980	1.000	4	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P)	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6a]C[5])(C[6a]C[6a]H)2{2|H<1>,2|P<4>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O){6|C<3>}	125.2140	0.000	1	125.2140	0.000	1	125.2140	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	124.3265	1.285	2	124.3265	1.651	2	124.2032	0.571	4	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	124.0800	0.004	2	124.0800	0.000	2	124.2032	0.571	4	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	130.2230	0.000	1	130.2230	0.000	1	129.8790	0.237	2	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.5350	0.000	1	129.5350	0.000	1	129.8790	0.237	2	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3)	C[5](C[6a]C[6a]2)(C[5]B[5]Si)(C[5]C[5]B){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,2|B<4>,2|C<3>,2|F<1>}	C[5](B[5]C[6a]C[5]N[6])(C[5]C[6a]C[5])(SiC3){1|Si<4>,1|B<4>,6|C<3>}	119.6530	0.000	1	119.6530	0.000	1	119.6530	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,5|C<3>}	131.1440	0.000	1	131.1440	0.000	1	129.5777	1.856	3	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	128.6690	0.000	1	128.7945	0.032	2	129.5777	1.856	3	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]2)(C[5]O[5]O){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[6a]C[5])(C[5]O[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	128.9200	0.000	1	128.7945	0.032	2	129.5777	1.856	3	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	P[5,6]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-4:	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	C[5](P[5,6]C[5,6]P[5,6])(C[5]C[5,6]C)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]P[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|P<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	128.1160	0.000	1	128.1160	0.000	1	128.1160	0.000	1	127.1928	7.593	22	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]C[5])(C[5]C[5,5,6]O)(C[6a]C[6a]2){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:3:	3:3:3:	5:3:4:	C[5]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	P[5]-5:C[5]-3:C[3]-4:	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H)	C[5](C[5]C[3]P[5])(C[6a]C[6a]2)(C[5]O[5]C){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5](P[5]C[6a]3O[5])(C[5]C[6a]C[5])(C[3]C[3]2H){4|H<1>,9|C<3>}	125.8710	0.000	1	125.8710	0.000	1	125.8710	0.000	1	125.8710	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:2:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	126.6310	1.126	3	126.6310	1.267	3	126.6310	1.267	3	126.6430	0.845	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	126.6790	0.000	1	126.6790	0.000	1	126.6790	0.000	1	126.6430	0.845	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:Si[5,5]-4:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3)	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]C[5])(Si[5,5]C[5]3){2|C<4>,5|H<1>,6|C<3>}	C[6a](C[5]Si[5,5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[5](C[5]Si[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	127.6300	0.000	1	127.6300	0.000	1	127.6300	0.000	1	127.6300	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:B[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(B[5]C[5]2H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	122.9045	0.781	2	122.9045	0.611	2	122.9045	0.611	2	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,6|C<3>}	129.2765	0.196	2	129.2765	0.038	2	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]Ir){2|H<1>,3|C<4>,4|C<3>}	125.6470	0.000	1	125.6470	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	129.8690	0.000	1	129.8690	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	130.7091	0.301	9	130.7091	0.090	9	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HP){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,5|C<3>}	128.4050	0.000	1	128.4050	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){2|C<4>,2|H<1>,4|C<3>}	128.9170	0.000	1	128.9170	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	130.3810	0.000	1	128.9895	3.873	2	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	127.5980	0.000	1	128.9895	3.873	2	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){4|C<3>,4|H<1>}	130.2930	0.000	1	130.2930	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|N<3>,3|H<1>,4|C<3>}	129.5200	0.000	1	129.5200	0.000	1	129.7666	1.901	19	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S){5|C<3>,5|H<1>}	129.3020	0.000	1	129.3020	0.000	1	129.3020	0.000	1	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:S[5]-3:	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O)	C[5](C[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]O[5]HN){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,1|O<2>,1|S<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]O[5]O){1|N<2>,3|H<1>,4|C<3>}	129.2200	0.000	1	129.2200	0.000	1	129.2200	0.000	1	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:P[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(P[5]C[5]CO){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	130.7660	2.018	2	130.7660	4.073	2	130.7660	4.073	2	129.2571	5.379	25	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	128.9230	0.000	1	128.9230	0.000	1	128.4890	0.377	2	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	128.0550	0.000	1	128.0550	0.000	1	128.4890	0.377	2	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	126.0100	0.000	1	126.0100	0.000	1	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	126.2310	0.836	2	126.2310	0.699	2	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	125.5490	0.000	1	125.5490	0.000	1	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	128.2900	0.000	1	128.2900	0.000	1	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|C<3>,2|C<4>,4|F<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){4|C<3>,6|F<1>}	128.6585	0.120	2	128.6585	0.014	2	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	128.8620	0.380	2	128.8620	0.145	2	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	127.7720	0.000	1	127.7720	0.000	1	127.5124	1.911	10	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	128.4460	0.000	1	128.4460	0.000	1	128.4460	0.000	1	127.7345	1.643	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	125.7090	0.000	1	125.7090	0.000	1	125.7090	0.000	1	125.7090	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(I){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	129.7090	0.000	1	129.7090	0.000	1	129.7090	0.000	1	129.7090	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	123.5045	0.429	2	123.5045	0.184	2	123.5045	0.184	2	123.5045	0.184	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:2:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[6a]N[5]H)(C[5]C[5]H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(Cl){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	131.5760	0.000	1	131.5760	0.000	1	131.5760	0.000	1	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|C<2>,1|H<1>,4|C<3>}	127.0700	0.401	3	128.0854	1.204	12	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,2|C<2>,3|C<3>}	128.4239	1.049	9	128.0854	1.204	12	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,3|C<3>}	126.7050	0.000	1	126.0087	0.364	3	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|C<4>,3|C<3>}	125.6605	0.009	2	126.0087	0.364	3	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|H<1>,4|C<3>}	128.0940	1.527	2	128.0940	2.333	2	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	126.7620	0.000	1	126.7620	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	127.6620	0.000	1	127.6620	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|H<1>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	127.9708	0.318	4	127.9708	0.101	4	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	127.8745	0.151	2	127.8745	0.023	2	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){2|C<3>,4|H<1>}	126.2690	0.000	1	126.2690	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5])2(H){2|H<1>,5|C<3>}	126.7019	0.840	10	126.7019	0.705	10	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(C[5]C[5]H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])2(H){1|H<1>,1|P<4>,5|C<3>}	127.1440	0.000	1	127.1440	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){1|C<4>,1|H<1>,3|C<3>}	123.8455	0.805	2	123.8455	0.649	2	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(H){2|C<3>,2|C<4>}	125.5370	0.000	1	125.5370	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	126.5650	0.000	1	126.5650	0.000	1	127.1590	1.788	41	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H){1|N<3>,2|C<3>,3|H<1>}	127.7977	1.034	3	127.7977	1.070	3	127.7977	1.070	3	127.2998	2.125	45	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[5]C[5]2){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(CN){5|C<3>}	112.7180	0.000	1	112.7180	0.000	1	123.9443	94.812	3	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CN){2|C<3>,2|C<4>}	129.5575	0.760	2	129.5575	0.578	2	123.9443	94.812	3	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(OC){1|C<4>,1|H<1>,3|C<3>}	129.6750	0.000	1	129.6750	0.000	1	130.0493	0.734	10	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,3|C<3>}	129.6070	0.540	2	129.6070	0.292	2	130.0493	0.734	10	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	129.3760	0.000	1	129.3760	0.000	1	130.0493	0.734	10	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){2|C<3>,2|H<1>}	130.7890	0.000	1	130.3713	0.941	6	130.0493	0.734	10	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(OH){2|C<3>,2|H<1>}	130.2878	1.060	5	130.3713	0.941	6	130.0493	0.734	10	128.6405	23.520	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(B[5,5]C[5]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]B[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.1365	2.012	8	128.1365	4.047	8	128.1365	4.047	8	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:B[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2)	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N)	C[5](C[5]C[6a]C[5])(B[5,5]O[5]3)(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|O<2>}	C[5](C[5]B[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]N){2|H<1>,2|O<2>,4|C<3>}	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:B[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl2)(C[6a]C[6a]2){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|Cl<1>,1|B<3>,1|O<3>,2|C<3>,2|H<1>}	C[5](B[5,6]O[5,6]O[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){2|Cl<1>,1|B<3>,1|B<4>,2|H<1>,4|C<3>}	126.3850	0.000	1	126.3850	0.000	1	126.3850	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	128.1977	0.772	4	128.1977	0.596	4	128.1977	0.596	4	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.5385	0.114	2	129.0270	0.632	6	129.0270	0.632	6	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2){1|O<1>,2|H<1>,2|N<3>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	129.2713	0.900	4	129.0270	0.632	6	129.0270	0.632	6	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,8|C<3>}	129.9530	0.000	1	129.9530	0.000	1	129.7745	0.064	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,5|C<3>,6|H<1>}	129.5960	0.000	1	129.5960	0.000	1	129.7745	0.064	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	128.6070	0.000	1	128.6070	0.000	1	128.6070	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	126.1090	0.000	1	126.1090	0.000	1	126.1090	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Ge[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Ge[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Ge[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	129.5359	0.600	11	129.5359	0.359	11	129.5359	0.359	11	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|W<6>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	129.0390	0.000	1	129.0390	0.000	1	129.8695	1.379	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	130.7000	0.000	1	130.7000	0.000	1	129.8695	1.379	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:S[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	131.9005	0.407	2	131.9005	0.165	2	131.9005	0.165	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:S[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	131.9584	1.002	8	131.9584	1.004	8	131.9584	1.004	8	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	125.4740	0.000	1	125.4740	0.000	1	125.4740	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	127.6608	1.137	6	126.8695	1.887	32	127.2361	1.883	43	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<2>,2|H<1>,7|C<3>}	128.2020	1.018	6	126.8695	1.887	32	127.2361	1.883	43	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	126.2323	1.131	20	126.8695	1.887	32	127.2361	1.883	43	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|C<2>,2|H<1>,7|C<3>}	128.0320	0.626	2	128.0320	0.392	2	127.2361	1.883	43	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(Si[5]C[5]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	128.3628	0.633	9	128.3628	0.400	9	127.2361	1.883	43	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:P-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){1|P<3>,4|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|H<1>,3|C<3>}	128.2400	0.000	1	128.2400	0.000	1	129.2402	0.800	5	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	128.6870	0.000	1	128.6870	0.000	1	129.2402	0.800	5	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(COO){1|C<2>,2|H<1>,3|C<3>}	128.9060	0.000	1	128.9060	0.000	1	129.2402	0.800	5	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	130.2130	0.000	1	130.2130	0.000	1	129.2402	0.800	5	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]C)(CCC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	130.1550	0.000	1	130.1550	0.000	1	129.2402	0.800	5	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(NCH){1|C<4>,2|C<3>,2|H<1>}	130.8350	0.000	1	130.8350	0.000	1	130.8350	0.000	1	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(COO){2|C<2>,2|C<3>,2|H<1>}	129.6850	0.000	1	129.6850	0.000	1	129.5330	0.046	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]N[5]C){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O){1|C<2>,1|H<1>,6|C<3>}	129.3810	0.000	1	129.3810	0.000	1	129.5330	0.046	2	128.4072	3.881	101	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	129.0120	0.000	1	129.0120	0.000	1	129.0120	0.000	1	127.7435	1.537	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]2){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[6a]Si[5])(C[6a]C[6a]2)(C[5]C[5]HO){2|C<4>,4|C<3>,4|H<1>}	126.0110	0.000	1	126.0110	0.000	1	126.0110	0.000	1	127.7435	1.537	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	127.9740	0.000	1	127.9740	0.000	1	127.9740	0.000	1	127.7435	1.537	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,2|C<3>,2|C<4>,3|O<2>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(SiC3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.9570	0.000	1	127.9570	0.000	1	127.9570	0.000	1	127.7435	1.537	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:P[5]-4:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](C[6a]C[6a]2)(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|S<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|C<4>,1|S<1>,3|C<3>}	127.7468	1.351	6	127.7468	1.824	6	127.7468	1.824	6	127.7435	1.537	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	126.4240	0.000	1	126.4240	0.000	1	126.4240	0.000	1	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<3>,2|C<4>,2|H<1>}	127.3970	0.000	1	127.3970	0.000	1	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){1|C<2>,1|H<1>,4|C<3>}	128.9520	0.000	1	128.9520	0.000	1	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	127.6235	0.701	2	126.2755	3.864	4	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	124.9275	1.958	2	126.2755	3.864	4	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	124.3180	0.000	1	124.3180	0.000	1	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2H)(H){2|C<3>,2|C<4>,5|H<1>}	127.1460	0.000	1	127.1460	0.000	1	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	128.1920	0.000	1	128.1920	0.000	1	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	125.7175	0.149	2	125.7175	0.022	2	126.5947	2.780	11	126.5805	2.530	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C-4:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	126.6860	0.000	1	126.6860	0.000	1	126.6860	0.000	1	127.9795	3.346	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC){1|O<2>,3|C<3>,5|H<1>}	129.2730	0.000	1	129.2730	0.000	1	129.2730	0.000	1	127.9795	3.346	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<3>,1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]Si[5]SiH)(C[6a]C[6a]2){1|Si<4>,3|H<1>,5|C<3>}	124.3820	0.419	2	124.3820	0.175	2	124.3820	0.175	2	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2)	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	122.4735	0.967	2	122.4735	0.934	2	122.4735	0.934	2	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(COO){2|C<2>,4|C<3>}	130.9470	0.000	1	130.9470	0.000	1	127.7082	4.725	4	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	126.7820	0.219	2	126.7820	0.048	2	127.7082	4.725	4	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]S[5]HH)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]S[5]HH)(COO){2|C<3>,2|H<1>}	126.3220	0.000	1	126.3220	0.000	1	127.7082	4.725	4	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]N){2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH){1|H<1>,2|C<2>,3|C<3>}	127.5290	1.875	2	127.5290	3.517	2	128.9420	2.642	5	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS){2|C<3>,4|H<1>}	130.3960	0.000	1	130.3960	0.000	1	128.9420	2.642	5	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS){2|C<3>,4|H<1>}	129.6680	0.000	1	129.6680	0.000	1	128.9420	2.642	5	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS){2|C<3>,4|H<1>}	129.5880	0.000	1	129.5880	0.000	1	128.9420	2.642	5	126.8657	8.431	13	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCHH){2|C<3>,4|H<1>}	128.1860	0.000	1	128.1860	0.000	1	128.1860	0.000	1	128.1860	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6]HH)(C[5]C[5,6]H){1|Cr<9>,2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]2){2|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[6a]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	124.7570	0.000	1	124.7570	0.000	1	124.7570	0.000	1	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	128.0080	0.000	1	126.7280	3.890	4	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){3|H<1>,5|C<3>}	126.3013	2.178	3	126.7280	3.890	4	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(H){1|O<2>,3|H<1>,4|C<3>}	127.3530	0.000	1	127.3530	0.000	1	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|S<4>,6|C<3>}	126.9430	0.000	1	126.9430	0.000	1	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(H){1|H<1>,1|S<4>,5|C<3>}	126.3680	0.000	1	126.3680	0.000	1	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,2|C<2>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|C<2>,4|C<3>}	130.0645	0.131	4	129.5050	0.792	6	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){6|C<3>}	128.3860	0.393	2	129.5050	0.792	6	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(C[5]C[5]H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,4|C<3>}	128.5580	0.000	1	128.5580	0.000	1	128.0831	3.085	14	127.8614	3.602	15	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	129.6830	0.000	1	129.6830	0.000	1	129.3080	0.105	3	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	129.1220	0.000	1	129.1220	0.000	1	129.3080	0.105	3	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	129.1190	0.000	1	129.1190	0.000	1	129.3080	0.105	3	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	122.7210	0.000	1	122.7210	0.000	1	122.7210	0.000	1	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	127.5280	0.076	3	127.5280	0.006	3	127.5280	0.006	3	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	129.1827	1.073	4	129.1827	1.152	4	129.8062	2.808	5	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NOO){1|C<2>,2|H<1>,5|C<3>}	132.3000	0.000	1	132.3000	0.000	1	129.8062	2.808	5	128.5217	5.288	12	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	3:4:3:	3:3:3:	4:3:4:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(CClHH){1|S<4>,2|H<1>,4|C<3>}	127.7210	0.000	1	127.7210	0.000	1	127.7210	0.000	1	127.7210	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(H)	C[5](C[5,5]C[5,5]O[5]H)(C[6a]C[6a]2)(C[5]O[5]H){3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(H){1|O<2>,2|H<1>,3|C<3>}	128.4790	0.382	2	128.4790	0.146	2	128.4790	0.146	2	128.4743	0.094	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|Zr<13>,1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(H){1|Zr<13>,2|C<3>,2|C<4>}	128.4695	0.367	2	128.4695	0.135	2	128.4695	0.135	2	128.4743	0.094	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:3:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:C[6a]-3:	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2)	C[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	127.2210	0.000	1	127.2210	0.000	1	127.2210	0.000	1	128.6905	4.319	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS){5|C<3>}	130.1600	0.000	1	130.1600	0.000	1	130.1600	0.000	1	128.6905	4.319	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:4:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3)	C[5](B[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]S[5]C){2|F<1>,7|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|S<2>,2|F<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(S[5]C[5])(CC3){5|C<3>}	122.8510	0.000	1	122.8510	0.000	1	122.8510	0.000	1	124.1860	1.450	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:2:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:C-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[6a]C[6a]2)(C[5]S[5]C){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Zr<13>,1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5])(CH3){1|Zr<13>,2|C<3>,2|C<4>}	124.8535	0.476	2	124.8535	0.226	2	124.8535	0.226	2	124.1860	1.450	3	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	As[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](As[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H)	C[5](As[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]As[5]C[5])(C[6a]C[6a]H)2{1|Au<2>,3|H<1>,4|C<3>}	C[5](C[5]As[5]C[6a])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	128.9540	0.513	2	128.9540	0.264	2	128.9540	0.264	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,6]-3:H-1:	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H)	C[5](B[5,6,6]C[6,6]2N[5,6])(C[5]C[5,6]H)(C[6a]C[6a]2){4|C<3>,4|C<4>,4|H<1>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]B[5,6,6]C[6a])(C[5,6]N[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	117.3890	0.506	2	117.3890	0.256	2	117.3890	0.256	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|H<1>,2|F<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(H){1|H<1>,2|C<4>,3|C<3>}	124.0200	0.000	1	124.0200	0.000	1	124.7470	1.057	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	125.4740	0.000	1	125.4740	0.000	1	124.7470	1.057	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]O)(I){2|C<4>,3|C<3>}	129.1467	1.594	3	129.1467	2.540	3	129.1467	2.540	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	130.5090	0.000	1	130.5090	0.000	1	130.5090	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|O<2>,5|C<3>}	126.2625	0.011	2	126.2625	0.000	2	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|O<2>,4|C<3>}	126.2450	0.000	1	126.2450	0.000	1	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H)	C[5](C[5,5]C[5,6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]O)(H){4|C<3>}	127.3460	0.000	1	127.3460	0.000	1	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])2(H){1|C<4>,6|C<3>}	125.9640	0.522	2	125.9640	0.272	2	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.9650	0.011	2	126.9650	0.000	2	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(H){4|C<3>}	128.5670	0.714	2	128.5670	0.510	2	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H)	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]H)(H){2|C<3>,2|C<4>}	127.3535	0.605	2	127.3535	0.366	2	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]C)(H){5|C<3>}	128.7257	0.360	3	128.7257	0.130	3	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	127.2555	0.203	2	128.0138	1.330	6	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<1>,1|S<3>,2|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	128.9010	0.000	1	128.0138	1.330	6	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H)	C[5](C[5,5]N[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5,5]O)(H){2|C<4>,3|C<3>}	128.2237	1.506	3	128.0138	1.330	6	127.5274	1.320	21	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<3>,3|C<4>}	126.1690	0.000	1	128.0607	2.701	3	128.0607	2.701	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){2|C<4>,3|C<3>}	129.1380	0.000	1	128.0607	2.701	3	128.0607	2.701	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(Br){1|C<4>,4|C<3>}	128.8750	0.000	1	128.0607	2.701	3	128.0607	2.701	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6,6]C[6,6]N[5,6]O[6])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>,4|C<4>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	128.0340	0.457	2	128.0340	0.209	2	128.0340	0.209	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	127.0460	0.000	1	127.0460	0.000	1	127.0947	0.200	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I)	C[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6,6]C[6a])(C[5]N[5,6]O)(I){2|C<4>,3|C<3>}	127.1190	0.629	2	127.1190	0.396	2	127.0947	0.200	3	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	129.8360	0.158	2	129.8360	0.025	2	129.8360	0.025	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(Br){2|C<4>,3|C<3>}	126.7450	0.000	1	126.7450	0.000	1	126.7450	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:F-1:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]F){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C)(F){1|H<1>,2|C<3>,2|C<4>}	130.3980	0.000	1	130.3980	0.000	1	130.3980	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5]C)(H){1|N<3>,4|C<3>}	127.3370	0.000	1	127.3370	0.000	1	126.1518	1.325	5	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6]O)(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){1|O<2>,2|C<3>,2|C<4>}	125.5317	1.069	3	125.5317	1.143	3	126.1518	1.325	5	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5,6]O)(H){5|C<3>}	126.8270	0.000	1	126.8270	0.000	1	126.1518	1.325	5	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]C)(I){4|C<3>}	131.5080	0.000	1	131.5080	0.000	1	131.2545	0.129	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(I){1|C<4>,4|C<3>}	131.0010	0.000	1	131.0010	0.000	1	131.2545	0.129	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2){3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|Ru<7>,1|C<4>,1|P<5>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H){1|Ru<7>,1|C<4>,1|H<1>,1|P<5>,3|C<3>}	124.7730	0.000	1	124.7730	0.000	1	124.6745	0.019	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:H-1:	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]RuP)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Ru<7>,1|C<4>,1|P<5>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(H){1|Ru<7>,1|C<4>,1|H<1>,1|P<5>,3|C<3>}	124.5760	0.000	1	124.5760	0.000	1	124.6745	0.019	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:Br-1:	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|Br<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br){1|Br<1>,2|H<1>,4|C<3>}	130.6430	0.000	1	130.6430	0.000	1	130.6430	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	131.2030	0.000	1	131.2030	0.000	1	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	126.9560	0.448	2	126.9560	0.201	2	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	125.0550	0.000	1	125.0550	0.000	1	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	126.4340	0.000	1	126.4340	0.000	1	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	125.3800	0.000	1	125.3800	0.000	1	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	128.2540	0.000	1	128.2540	0.000	1	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	125.0637	0.720	3	125.0637	0.518	3	126.5429	4.041	10	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:I-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|I<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	128.8640	0.000	1	128.8640	0.000	1	128.8640	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]Os)(H)	C[5](C[5]C[6a]2C[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Os<6>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]Os)(H){1|H<1>,4|C<3>}	127.9390	0.000	1	127.9390	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(H){4|C<3>}	126.4930	0.000	1	126.4930	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]Ru)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]Ru)(H){1|C<4>,4|C<3>}	124.1460	0.000	1	124.1460	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,2|C<4>,3|C<3>}	126.0890	0.000	1	126.0165	0.011	2	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(H){1|H<1>,4|C<3>}	125.9440	0.000	1	126.0165	0.011	2	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	126.1770	0.000	1	126.1770	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){4|C<3>}	127.8550	0.000	1	127.8550	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(H){1|H<1>,3|C<3>}	128.0240	0.000	1	128.0240	0.000	1	126.5834	1.757	8	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	130.8340	0.000	1	130.8340	0.000	1	130.8340	0.000	1	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](P[5]C[5,6a]C[6]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5](P[5]C[5,6a]C[6]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	127.3350	0.000	1	127.3350	0.000	1	127.3522	0.504	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,6|C<3>}	126.8140	0.783	2	126.8140	0.614	2	127.3522	0.504	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,5|C<3>}	127.5132	0.634	4	127.5132	0.402	4	127.3522	0.504	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	127.4645	0.909	4	127.4645	0.827	4	127.3522	0.504	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	128.2350	0.537	2	128.2350	0.289	2	128.8359	0.236	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]Au)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Au<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|Au<2>,4|C<3>}	128.8023	0.167	3	128.8023	0.028	3	128.8359	0.236	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H)	C[5](P[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]H)(H){1|C<4>,4|C<3>}	129.0530	0.448	6	129.0530	0.201	6	128.8359	0.236	11	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	S[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	131.9080	0.000	1	131.9080	0.000	1	131.1995	1.004	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	S[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2{2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|O<2>,2|O<1>,4|C<3>}	130.4910	0.000	1	130.4910	0.000	1	131.1995	1.004	2	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	124.9707	0.604	4	124.9707	0.365	4	124.9707	0.365	4	127.3614	5.442	102	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[3,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[5]C[6a]O[5])(C[6a]C[6a]2){1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	128.2220	0.000	1	128.2220	0.000	1	128.2220	0.000	1	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5a]-3:O[5]-2:	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6])	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[4,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	128.7880	0.000	1	128.7880	0.000	1	128.7880	0.000	1	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[5]O)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){1|O<2>,2|C<3>,3|C<4>}	124.9690	0.000	1	124.9690	0.000	1	127.1550	3.305	5	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(OS){2|O<2>,4|C<3>}	128.8810	0.000	2	128.8810	0.000	2	127.1550	3.305	5	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	126.5220	1.297	2	126.5220	1.682	2	127.1550	3.305	5	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	124.5980	0.000	1	125.5190	1.696	2	125.5190	1.696	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(SC[6a]){1|C<4>,2|H<1>,3|C<3>}	126.4400	0.000	1	125.5190	1.696	2	125.5190	1.696	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6])	C[5](C[5,6]N[6,6a]C[5,6]C[6a])(C[5]C[6a]O[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(O[5]C[5,6]){1|N<3>,2|H<1>,7|C<3>}	128.5025	2.108	2	128.5025	4.443	2	128.5025	4.443	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Se-2:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	129.4840	0.000	1	128.6473	0.836	3	128.6473	0.836	3	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Se-2:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a])	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SeC[6a]){1|C<4>,4|C<3>}	128.2290	0.789	2	128.6473	0.836	3	128.6473	0.836	3	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|C<2>,1|H<1>,5|C<3>}	126.0970	0.000	1	126.0970	0.000	1	127.5265	4.087	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-2:	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|N<3>,2|H<1>,4|C<3>}	128.9560	0.000	1	128.9560	0.000	1	127.5265	4.087	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:Se[5]-2:	C[5](P[5]C[6a]Se[5]Se)(C[5]Se[5]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5])	C[5](P[5]C[6a]Se[5]Se)(C[5]Se[5]C[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Se<1>,2|Se<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]Se[5]C[5])(Se[5]Se[5]){1|Se<1>,1|Se<2>,1|P<4>,4|C<3>}	123.6010	0.795	2	123.6010	0.632	2	123.6010	0.632	2	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-2:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CC){2|C<3>,2|C<4>}	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	127.0830	4.068	19	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:B[5]-3:C[6a]-3:	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[5](B[5,6,6]O[5,6,6]O[5,6]2)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,2|B<3>,2|H<1>,3|B<4>,4|C<3>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|B<3>,2|C<3>,2|H<1>,3|O<3>}	C[5](C[5]B[5,6,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|B<4>,2|H<1>,2|O<3>,4|C<3>}	127.7650	0.000	1	127.7650	0.000	1	127.7650	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2)	C[5](B[5,6]O[5,6,6]O[5,6]Cl)(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|B<3>,1|O<2>,2|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	C[5](B[5,6]O[5,6,6]O[6])(C[5]B[5,6]C[6a])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	125.0720	0.000	1	125.0720	0.000	1	125.0720	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:B[5]-3:C[6a]-3:	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2)	C[5](B[5,6]O[5,6]2Cl)(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|B<3>,2|B<4>,2|H<1>,4|C<3>}	C[6a](C[5]B[5,6]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|B<3>,2|C<3>,2|H<1>,2|O<3>}	C[5](C[5]B[5,6]C[6a])(B[5]O[5,6]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|O<3>,2|H<1>,4|C<3>}	127.0500	0.000	1	127.0500	0.000	1	127.0500	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]C)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	124.6670	0.000	1	124.6670	0.000	1	125.5644	0.670	5	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,6|C<3>}	126.0083	0.740	3	125.7887	0.558	4	125.5644	0.670	5	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]N[5,6]C[6a]Cl)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Cl<1>,3|H<1>,7|C<3>}	125.1300	0.000	1	125.7887	0.558	4	125.5644	0.670	5	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{2|F<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]2N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Mn<8>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	125.7820	1.300	2	125.7820	1.689	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|N<3>,7|C<3>}	127.7860	0.000	1	127.7860	0.000	1	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5]N[6]Cl)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|H<1>,7|C<3>}	127.3345	0.467	2	127.3345	0.218	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[5a]C[5]N[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,9|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	126.6550	0.168	2	126.6550	0.028	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|F<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|F<1>,8|C<3>}	125.9325	1.938	2	125.9325	3.757	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	127.0550	0.247	2	127.0550	0.061	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](B[5]C[6a]C[5]P)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]H)2{1|P<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|P<4>,2|H<1>,8|C<3>}	125.3390	0.513	2	125.3390	0.264	2	126.4602	1.173	13	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[3,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:P[5]-3:	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C)	C[5](C[3,5]P[3,5]C[6a]C[3])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[3,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|P<3>,3|C<3>}	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(P[5]P[3,5]C){1|C<4>,2|H<1>,5|C<3>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[3x5]C[5,5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[3x5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	127.6600	0.000	1	127.6600	0.000	1	127.6600	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	127.3610	0.000	1	127.3610	0.000	1	128.0797	2.162	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	126.6515	0.835	2	126.6515	0.697	2	128.0797	2.162	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|O<1>,2|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	128.3580	0.000	1	128.3580	0.000	1	128.0797	2.162	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	129.7280	0.066	2	129.7280	0.004	2	128.0797	2.162	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	127.3780	0.000	1	127.3780	0.000	1	127.3780	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	127.7570	0.000	1	127.7570	0.000	1	127.7570	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a,6a]C[6a])(C[5]C[6a]C[5]){1|O<1>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	126.7620	0.000	1	126.7620	0.000	1	126.7620	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	128.1470	0.000	1	128.1470	0.000	1	127.1585	0.616	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	126.4900	0.000	1	126.4900	0.000	1	127.1585	0.616	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	127.5630	0.000	1	127.5630	0.000	1	127.1585	0.616	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	127.7120	0.000	1	126.9170	0.658	3	127.1585	0.616	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	126.5195	0.606	2	126.9170	0.658	3	127.1585	0.616	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	122.1745	3.737	4	122.1745	13.963	4	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,5|C<3>}	124.0840	0.000	1	124.0840	0.000	1	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]2){2|H<1>,7|C<3>}	126.2930	0.000	1	126.2930	0.000	1	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	124.0780	0.000	1	125.2057	0.955	3	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	125.7300	0.000	1	125.2057	0.955	3	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|F<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	125.8090	0.000	1	125.2057	0.955	3	123.8547	8.321	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	130.7230	0.000	1	130.7230	0.000	1	128.5800	6.715	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,3|O<2>,5|C<3>}	125.7000	0.000	1	125.7000	0.000	1	128.5800	6.715	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,5]C[5]O[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	129.3170	0.000	1	129.3170	0.000	1	128.5800	6.715	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,5,6]C[5]O)(C[5]N[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	126.9620	0.000	1	126.9620	0.000	1	126.9620	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O){2|H<1>,4|C<3>}	126.2220	0.000	1	126.2220	0.000	1	127.1100	1.577	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O){1|H<1>,4|C<3>}	127.9980	0.000	1	127.9980	0.000	1	127.1100	1.577	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	127.4860	0.305	2	127.4860	0.093	2	127.5538	0.082	4	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	127.3610	0.000	1	127.3610	0.000	1	127.5538	0.082	4	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	127.8820	0.000	1	127.8820	0.000	1	127.5538	0.082	4	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,3|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	125.0210	0.000	1	125.0210	0.000	1	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6a]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]2){2|H<1>,2|O<2>,6|C<3>}	128.7550	0.000	1	128.7550	0.000	1	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.5553	1.683	4	128.3813	2.131	6	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.0335	1.339	2	128.3813	2.131	6	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.8050	2.379	2	128.8417	1.678	6	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	128.8600	0.954	4	128.8417	1.678	6	128.3653	2.442	14	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	130.1230	0.506	2	130.1230	0.256	2	129.9756	1.085	5	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,6|C<3>}	129.8773	1.416	3	129.8773	2.005	3	129.9756	1.085	5	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]O[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,3|H<1>,6|C<3>}	126.1140	0.000	1	126.1140	0.000	1	126.1140	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	128.9700	0.000	1	128.9700	0.000	1	127.9745	1.982	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC){1|Si<4>,2|H<1>,4|C<3>}	126.9790	0.000	1	126.9790	0.000	1	127.9745	1.982	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	124.2250	0.000	1	124.2250	0.000	1	124.9705	1.112	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	125.7160	0.000	1	125.7160	0.000	1	124.9705	1.112	2	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){3|H<1>,8|C<3>}	129.2517	0.283	3	129.2517	0.080	3	128.6921	0.876	7	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])2(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	128.2725	1.073	4	128.2725	1.150	4	128.6921	0.876	7	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	126.3930	0.000	1	126.3930	0.000	1	126.3930	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,2|O<2>,6|C<3>}	127.0500	0.000	1	127.0500	0.000	1	129.0190	1.800	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]C){1|C<4>,2|H<1>,5|C<3>}	128.1480	0.000	1	128.1480	0.000	1	129.0190	1.800	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,2|H<1>,5|C<3>}	129.7620	1.081	3	129.7620	1.168	3	129.0190	1.800	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]O){1|O<2>,2|H<1>,5|C<3>}	129.6300	0.000	1	129.6300	0.000	1	129.0190	1.800	6	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:B-3:	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2)	C[5](C[5]B[5]Si2)(C[6a]C[6a]2)(C[5]C[5]B){1|C<2>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){2|Si<4>,2|B<3>,2|C<3>,2|F<1>}	C[5](C[5]C[6a]C[5])(C[5]B[5]C)(BC[6a]2){2|Si<4>,3|C<3>}	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<4>,3|C<3>}	125.8930	0.000	1	127.0165	2.525	2	126.5743	1.849	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]O)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(COO){1|H<1>,2|C<3>,3|C<4>}	128.1400	0.000	1	127.0165	2.525	2	126.5743	1.849	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.6900	0.000	1	125.6900	0.000	1	126.5743	1.849	3	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	127.3070	0.000	1	127.3070	0.000	1	127.8303	1.934	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]C)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]C)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	129.9840	0.000	1	129.9840	0.000	1	127.8303	1.934	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	126.8760	0.000	1	126.8760	0.000	1	127.8303	1.934	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	128.5495	0.646	4	128.5495	0.418	4	127.8303	1.934	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|W<6>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	126.0540	0.122	2	126.0540	0.015	2	127.8303	1.934	9	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	129.1095	0.866	8	129.1095	0.750	8	129.1095	0.750	8	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5,6]C[5]O[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|Si<4>,2|H<1>,6|C<3>}	C[6a](C[5]Si[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]Si[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,7|C<3>}	129.1830	0.856	4	129.1830	0.732	4	129.1830	0.732	4	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	125.7355	1.012	4	125.7355	1.024	4	125.7355	1.024	4	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<4>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	120.1230	0.882	2	120.1230	0.779	2	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6,6]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	126.3240	0.163	2	126.3240	0.026	2	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	125.3250	0.000	1	126.6124	3.620	5	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,9|C<3>}	127.0510	2.474	3	126.6124	3.620	5	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]2C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	126.5840	0.000	1	126.6124	3.620	5	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,3|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	127.1780	0.755	2	127.1780	0.570	2	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<2>,2|H<1>,8|C<3>}	129.3920	0.243	2	127.7447	3.817	4	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](Si[5]C[6a]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	126.0975	0.733	2	127.7447	3.817	4	126.0861	8.094	15	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrC){2|C<3>,2|C<4>}	128.0600	0.000	1	128.0600	0.000	1	128.0600	0.000	1	127.1406	5.625	141	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	B[5,6,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH)	C[5](B[5,6,6]C[6,6]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[5]B[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]B[5,6,6]C[6a])(C[5]O[5]O)(CCHH){2|C<3>,2|C<4>}	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[3,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[3,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H)	C[5](C[3,5,6]C[3,5,6,6]C[3,6]C[6])(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,6|C<4>,6|H<1>}	C[6a](C[5]C[3,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[3,5,6,6]C[6])(C[5]C[3,5,6]C[6a])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	129.2070	0.000	1	129.2070	0.000	1	129.2070	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF)	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]C[5,5,6]O)(CCFF){2|C<3>,2|C<4>,2|H<1>}	126.9600	0.000	1	126.9600	0.000	1	126.9600	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	127.3840	0.000	1	127.3840	0.000	1	127.5983	2.118	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	126.2620	0.000	1	126.2620	0.000	1	127.5983	2.118	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	129.1490	0.000	1	129.1490	0.000	1	127.5983	2.118	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[6a]O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	126.6270	0.000	1	126.6270	0.000	1	128.5272	1.733	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3)	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]O[5]O)(CF3){2|C<3>,2|C<4>}	128.4980	0.000	1	128.4980	0.000	1	128.5272	1.733	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]H)(CCHH){5|C<3>}	129.1703	1.019	3	129.1703	1.039	3	128.5272	1.733	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	129.3147	1.101	3	129.3147	1.213	3	129.3782	2.933	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	131.6270	0.000	1	131.6270	0.000	1	129.3782	2.933	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	127.3200	0.000	1	127.3200	0.000	1	129.3782	2.933	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]C[6])(C[6]C[6]2H){2|C<3>,5|H<1>,7|C<4>}	126.3800	0.000	1	126.3800	0.000	1	126.3800	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(CC[5]HH){1|C<4>,4|C<3>}	128.3330	0.000	1	128.3330	0.000	1	128.3330	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|P<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(PO3){1|C<4>,4|C<3>}	129.7545	0.254	2	129.7545	0.064	2	129.7545	0.064	2	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:S-4:	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a])(C[5]N[5]O)(SC[6a]OO){1|C<4>,4|C<3>}	132.4490	0.000	1	132.4490	0.000	1	132.4490	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|C<4>,1|N<2>,2|C<3>,2|F<1>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	127.3105	0.158	2	127.3105	0.025	2	128.5945	2.281	4	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	129.8785	0.473	2	129.8785	0.224	2	128.5945	2.281	4	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:P-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(C[5]C[5]2){1|P<4>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru){3|H<1>,4|C<3>}	135.7820	0.000	1	135.7820	0.000	1	135.7820	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:Si-4:	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC){1|C<4>,1|H<1>,5|C<3>}	126.1810	0.000	1	126.1810	0.000	1	126.1810	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]Cl)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|Cl<1>,2|C<3>,5|H<1>,6|C<4>}	128.1490	0.000	1	128.1490	0.000	1	128.3437	0.748	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]H)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){2|C<3>,6|C<4>,6|H<1>}	129.2890	0.000	1	129.2890	0.000	1	128.3437	0.748	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-4:	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H)	C[5](C[5]C[5]C[6]O)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C[6])(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>,6|C<4>}	127.5930	0.000	1	127.5930	0.000	1	128.3437	0.748	3	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	128.2950	0.000	1	127.5770	1.031	2	127.2132	4.206	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	126.8590	0.000	1	127.5770	1.031	2	127.2132	4.206	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	125.4215	0.975	2	125.4215	0.951	2	127.2132	4.206	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	130.0690	0.000	1	130.0690	0.000	1	127.2132	4.206	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]Si){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(SiC3){2|H<1>,4|C<3>}	126.8340	0.051	2	126.8340	0.003	2	126.8340	0.003	2	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](P[5]C[6a]O[5]S)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	127.5420	0.345	2	127.5420	0.119	2	127.5420	0.119	2	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){1|Pd<4>,1|C<4>,3|C<3>}	126.7525	1.364	4	126.7525	1.859	4	126.9094	1.517	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3)	C[5](P[5]C[5]Ru2)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{2|Ru<7>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]P[5])(C[5]C[5]C)(CH3){2|Ru<7>,1|H<1>,2|C<3>}	127.5370	0.000	1	127.5370	0.000	1	126.9094	1.517	5	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	Si[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	126.2290	0.000	1	126.2290	0.000	1	126.2290	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:3:4:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC)	C[5](Si[5]N[5]CC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]Si[5])(C[5]N[5]C)(CZrCC){2|C<3>,2|C<4>}	130.0770	0.000	1	130.0770	0.000	1	130.0770	0.000	1	128.0340	6.563	46	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	B[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H)	C[5](B[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|F<1>,2|H<1>,6|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,1|O<3>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]B[5])(C[5]O[5]HH)(H){1|C<4>,4|C<3>}	121.0490	0.000	1	121.0490	0.000	1	121.0490	0.000	1	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[4,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H)	C[5](C[4,5]C[4]2O[5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[4,5]C[6a])(C[5]O[5]HH)(H){1|C<4>,3|C<3>}	127.8720	2.076	2	127.8720	4.310	2	127.8720	4.310	2	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:I-1:	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]C[6a])(C[5]N[5,5]CH)(I){1|C<4>,1|S<4>,3|C<3>}	125.9540	0.000	1	125.9540	0.000	1	125.9540	0.000	1	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	126.7070	0.735	2	126.7070	0.541	2	126.9205	0.256	4	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CO)(H){1|S<2>,5|C<3>}	127.1340	0.214	2	127.1340	0.046	2	126.9205	0.256	4	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5]OO)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]S[5]H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]C[6a])(S[5]C[5,5]OO)(H){2|C<3>,2|C<4>,2|H<1>}	123.3490	0.000	1	123.3490	0.000	1	123.3490	0.000	1	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	125.4070	0.007	3	125.4070	0.000	3	125.4070	0.000	3	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	128.0930	0.000	1	128.0930	0.000	1	127.1560	1.756	2	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H)	C[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(H){4|C<3>}	126.2190	0.000	1	126.2190	0.000	1	127.1560	1.756	2	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	Ge[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Ge[5]-4:H-1:	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H)	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H)	C[5](Ge[5]Ge[5]CC)(C[6a]C[6a]2)(C[5]Ge[5]H){1|C<2>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[5]Ge[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){2|Ge<4>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]Ge[5])(Ge[5]Ge[5]CC)(H){2|C<3>,4|C<4>}	122.0520	0.000	1	122.0520	0.000	1	122.0520	0.000	1	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:1:	Si[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H)	C[5](Si[5]C[5]CC)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]Si[5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[6a]Si[5])(C[5]C[5]HO)(H){2|C<3>,2|C<4>,2|H<1>}	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	125.6900	4.553	16	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[4,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:C[6a]-3:	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2)	C[5](C[4,5]P[4,5]C[6a]C[4])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|P<4>,3|C<3>}	C[5](C[5]C[4,5]C[6a])(P[5]P[4,5]CO)(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	130.4780	0.000	1	130.4780	0.000	1	129.6283	0.602	3	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	129.2035	0.347	2	129.2035	0.121	2	129.6283	0.602	3	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(COO){2|H<1>,4|C<3>}	129.0770	0.000	1	129.0770	0.000	1	128.6680	1.300	5	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O){1|H<1>,6|C<3>}	128.5470	1.579	3	128.5470	2.493	3	128.6680	1.300	5	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]HH)(COO){1|C<4>,4|C<3>}	128.6220	0.000	1	128.6220	0.000	1	128.6680	1.300	5	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(COO){2|C<2>,4|C<3>}	130.6320	0.000	1	130.6320	0.000	1	130.6320	0.000	1	128.3237	8.948	10	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	B[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[3]-4:C[5]-4:	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2)	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[5](B[5]C[6a]C[5]C)(C[5]C[3]C[5])(C[6a]C[6a]2){2|F<1>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]B[5]C[5])(C[6a]C[6a]F)2{1|C<2>,2|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[3x5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH)	C[5](C[3x5]C[3x5]N[5]2)(C[6a]C[6a]2)(C[5]C[5]C){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5](C[5]C[3x5]C[6a])(C[5]C[3x5]HH)(CCCH){1|C<4>,2|N<3>,3|C<3>}	127.7050	0.000	1	127.7050	0.000	1	127.7050	0.000	1	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,7|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	127.2000	0.000	1	127.2000	0.000	1	127.7363	0.217	3	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.0045	0.043	2	128.0045	0.002	2	127.7363	0.217	3	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:C-4:	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3)	C[5](C[5,6]C[6]2O[5])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|P<4>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6]C[6a])(P[5]O[5]OO)(CH3){2|C<3>,2|C<4>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	126.7470	0.000	1	126.7470	0.000	1	128.8980	4.355	4	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(CHHO){3|C<3>,3|H<1>}	127.5200	0.000	1	127.5200	0.000	1	128.8980	4.355	4	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	3:4:4:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	130.6625	0.559	2	130.6625	0.313	2	128.8980	4.355	4	127.0992	6.018	11	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[3x5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H)	C[5](C[3x5]C[3x5]N[5]O[5])(C[5]C[5,5]H)(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	C[6a](C[5]C[3x5]C[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]2C[3x5])(C[5]C[3x5]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,7|C<3>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5,6]C[6a])(H){2|H<1>,8|C<3>}	129.0300	0.000	1	129.0300	0.000	1	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	126.6907	0.525	3	126.7595	0.202	4	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6]C[4,5,6,6]C[5,6]H)(C[5]C[5,6]C[6a])(H){2|C<3>,3|H<1>,4|C<4>}	126.9660	0.000	1	126.7595	0.202	4	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|O<1>,4|C<3>}	133.2700	0.000	1	132.6110	0.869	2	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]C)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	131.9520	0.000	1	132.6110	0.869	2	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H)	C[5](C[5,6]O[5,6]C[6a]C[6])(C[5]C[5,6]H)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H){1|C<4>,5|C<3>}	126.9110	0.040	2	126.9110	0.002	2	128.3458	6.564	9	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[3x5]-4:C[5]-3:H-1:	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[3x5]HH)(C[5]C[3x5]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]C[5]2){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[3x5]C[3x5]C[5]2)(C[5]C[6a]C[5])(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	128.7000	0.000	1	128.7000	0.000	1	128.7000	0.000	1	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H)	C[5](C[5]C[4,5,5]CC)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[6a]C[5])(H){1|C<4>,3|C<2>,6|C<3>}	129.9020	0.000	1	129.9020	0.000	1	126.8899	2.826	7	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	125.2770	0.543	2	125.2770	0.295	2	126.8899	2.826	7	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	126.2060	0.379	2	126.6423	0.643	3	126.8899	2.826	7	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])(H){4|C<3>,5|H<1>}	127.5150	0.000	1	126.6423	0.643	3	126.8899	2.826	7	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5])(H){2|H<1>,5|C<3>}	127.8460	0.000	1	127.8460	0.000	1	126.8899	2.826	7	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	126.7120	0.000	1	126.7120	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5])(H){1|N<3>,3|C<3>,5|H<1>}	126.5990	0.000	1	126.5990	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	126.6800	0.000	1	126.6800	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	124.4360	0.000	1	124.4360	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5]S[6]2)(C[5]C[6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	127.8250	0.000	1	127.8250	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5,6]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5,6]O[5]S[6]2)(C[5]C[6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	128.0310	0.000	1	128.0310	0.000	1	126.7138	1.634	6	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){1|O<2>,2|H<1>,5|C<3>}	126.2970	0.000	1	127.2027	1.833	3	127.2027	1.833	3	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	127.6555	1.561	2	127.2027	1.833	3	127.2027	1.833	3	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	P[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](P[5,5]C[3,5,5]C[5,6a]Se)(C[5]C[3,5]H)(C[6a]C[6a]2)	C[6a](C[5]P[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H)	C[5](P[5,5]C[3,5,5]C[5,6a]Se)(C[5]C[3,5]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]P[5,5]C[5])(C[6a]C[6a]H)2{1|Se<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]P[5,5]C[6a])(H){1|Se<1>,6|C<3>}	128.1830	0.000	1	128.1830	0.000	1	128.1830	0.000	1	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:1:	P[5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H)	C[5](P[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]B[5]H){2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](B[5]C[6a]2O[5])(C[5]C[6a]P[5])(H){8|C<3>}	126.7325	2.466	2	126.7325	6.080	2	126.7325	6.080	2	127.3922	3.616	30	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:2:	C[4,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C-2:	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN)	C[5](C[4,5]C[4,5,5]C[4]C)(C[5]C[5,5]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[4,5,5]C[6a]C[5])(C[5]C[4,5]C[6a])(CN){1|C<2>,1|C<4>,1|H<1>,7|C<3>}	125.3630	0.000	1	125.3630	0.000	1	125.3630	0.000	1	127.1617	1.568	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:2:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){2|H<1>,6|C<3>}	127.6375	0.545	2	127.6375	0.297	2	127.7613	0.195	3	127.1617	1.568	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:2:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CC){1|O<2>,2|H<1>,5|C<3>}	128.0090	0.000	1	128.0090	0.000	1	127.7613	0.195	3	127.1617	1.568	4	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO)	C[5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5,6]C[6a])(COO){1|H<1>,3|C<3>,4|C<4>}	132.0790	0.318	3	132.0790	0.101	3	132.0790	0.101	3	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	C[6a](C[5]C[5,5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	130.1330	0.000	1	130.1330	0.000	1	130.1330	0.000	1	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,8|C<3>}	128.8280	0.000	1	128.8280	0.000	1	128.8280	0.000	1	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	127.2730	0.000	1	127.2730	0.000	1	127.7840	0.522	2	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,3x6]C[6,6]C[6a])(C[5]C[5,6,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,9|C<3>}	128.2950	0.000	1	128.2950	0.000	1	127.7840	0.522	2	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO)	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6,6]C[5])(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,6,6]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	127.4240	0.000	1	127.4240	0.000	1	127.4240	0.000	1	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,9|C<3>}	129.9170	0.000	1	129.9170	0.000	1	129.9170	0.000	1	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	C[6a](C[5]C[5,6]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	124.4743	0.815	3	124.4743	0.665	3	124.4743	0.665	3	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:B-3:	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2)	C[5](C[5]B[5,5]SiH)(C[5]C[5,5]B)(C[6a]C[6a]2){1|Si<4>,1|N<3>,2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,2|B<3>,2|F<1>}	C[5](C[5,5]C[5,6a]B[5,5]Si)(C[5]C[6a]C[5])(BC[6a]2){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]B[5,6]C[6a]H)(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]B[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<3>,3|H<1>}	124.8900	0.279	3	124.8900	0.078	3	124.8900	0.078	3	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	125.6820	0.000	1	125.6820	0.000	1	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]C[5]2){1|B<3>,1|C<4>,1|H<1>,2|F<1>,3|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	126.7110	0.513	2	126.7110	0.264	2	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]2B[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|S<2>,3|H<1>,9|C<3>}	126.2220	0.000	1	126.2220	0.000	1	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	125.0438	1.071	5	125.0438	1.147	5	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]B[5]Si)(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Si<4>,1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]B[5]H)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|Si<4>,2|H<1>,8|C<3>}	124.0892	1.002	5	124.0892	1.004	5	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	125.6925	1.466	2	125.6925	2.149	2	125.1485	1.573	16	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])(COO)	C[5](C[5]C[5]PdC)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])(COO){1|Pd<5>,1|C<4>,7|C<3>}	130.6870	0.000	1	130.6870	0.000	1	130.3400	0.241	2	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	C[5]-4:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])(COO){1|H<1>,6|C<3>}	129.9930	0.000	1	129.9930	0.000	1	130.3400	0.241	2	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:3:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|Os<4>,1|P<3>,1|P<4>,2|H<1>,3|C<3>}	C[5](P[5]C[6a]P[5]Os)(C[5]C[6a]P[5])(C[6a]C[6a]2){1|Os<4>,2|H<1>,8|C<3>}	123.8073	2.995	6	123.8073	8.970	6	123.8073	8.970	6	126.1757	8.187	40	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	4:3:3:	3:3:3:	4:3:4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C)	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]B[5]C){5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]C[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,3|C<4>,3|H<1>}	C[5](B[5]C[5,5]C[6a]2)(C[5]C[5,5]C[6a])(CH3){1|C<4>,2|H<1>,7|C<3>}	127.5515	0.235	2	127.5515	0.055	2	127.5515	0.055	2	127.5515	0.055	2	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	0:SP2_SP2_SP2	C[5]	C[6a]	C[5]	6:3:3:	3:3:3:	3:3:3:	C[5x3,6x5,20x6]-6:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-3:P-3:	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]P[5]P)	C[6a](C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]H)2	C[5](C[5]C[5x3,6x5,20x6]C[6a])(P[5]C[5x3,6x5,20x6]N)(PCN)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[6a]C[6a]2)(C[5]P[5]P){1|N<3>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,2|P<3>,4|B<6>}	C[5](C[5]C[5x3,6x5,20x6]C[6a])(P[5]C[5x3,6x5,20x6]N)(PCN){2|C<3>,6|B<6>}	126.9510	0.000	1	126.9510	0.000	1	126.9510	0.000	1	126.9510	0.000	1	127.4253	10.825	4237	127.5228	10.956	4574
818	643	818	6:SP2_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:4:3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){4|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,5,6]C[5,6,6]){3|Cl<1>,2|C<3>,7|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,5,6]){4|Cl<1>,3|C<4>,5|C<3>}	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	122.3100	0.006	2	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6,6]	C[6,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,6,6]-4:C[5,6,6]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[5,5,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[5,5,6]C[3x6])(C[6,6,6a]C[6,6,6a]2){3|Cl<1>,3|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6,6]Cl)(C[5,6,6]C[6,6,6a]C[5,6,6])(C[3x6]C[5,6,6]C[3x6]){4|Cl<1>,3|C<4>,5|C<3>}	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	122.3100	0.006	2	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(N[5]S[5]){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]O)(S[5]S[5]){1|O<1>,2|C<3>}	121.3587	0.806	6	121.3587	0.650	6	121.3587	0.650	6	121.3587	0.650	6	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:2:	C[6,6a]-3:C[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:S[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5])	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]S[5])(C[6]C[6]HH)(S[5]C[5]){2|H<1>,3|C<3>}	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	126.2790	0.564	2	126.2790	0.318	2	126.1953	0.126	4	126.4837	0.220	7	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	125.9860	0.000	1	125.9860	0.000	1	126.1953	0.126	4	126.4837	0.220	7	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]HN)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	126.2370	0.000	1	126.2370	0.000	1	126.1953	0.126	4	126.4837	0.220	7	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	127.0155	0.185	2	126.8683	0.082	3	126.8683	0.082	3	126.4837	0.220	7	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.5740	0.000	1	126.8683	0.082	3	126.8683	0.082	3	126.4837	0.220	7	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5])	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(O[5]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[6,6a](C[5,6]C[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	125.3060	0.000	1	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5])(C[5]C[5]O){2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]C)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	119.3910	0.062	2	119.3910	0.004	2	119.3910	0.004	2	119.0440	0.363	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	119.0440	0.363	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	118.7280	0.187	2	118.7280	0.035	2	121.6574	8.784	5	121.6574	8.784	5	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br){1|H<1>,2|O<1>,5|C<3>}	121.7830	0.000	1	121.7830	0.000	1	121.6574	8.784	5	121.6574	8.784	5	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	125.3870	0.000	1	125.3870	0.000	1	121.6574	8.784	5	121.6574	8.784	5	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	123.6610	0.000	1	123.6610	0.000	1	121.6574	8.784	5	121.6574	8.784	5	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	123.1333	2.105	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[6,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	C[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	123.9675	0.189	2	123.9675	0.036	2	123.9675	0.036	2	123.1333	2.105	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:N[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6])(C[5]O[5]O){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6]){2|O<1>,3|C<3>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(C[6]C[6]Br){1|C<4>,1|O<1>,4|C<3>}	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	121.7290	11.578	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	124.1350	0.000	1	124.1350	0.000	1	124.1350	0.000	1	121.7290	11.578	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,5a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	121.2565	1.990	4	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	121.2565	1.990	4	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	122.5570	0.000	1	122.5570	0.000	1	122.4705	0.015	2	121.2565	1.990	4	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[5,6]-3:N[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6a]N[5])(C[5]C[5]HH)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	122.3840	0.000	1	122.3840	0.000	1	122.4705	0.015	2	121.2565	1.990	4	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]CC){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){2|C<2>,3|C<3>,3|H<1>}	123.6235	0.637	2	123.6235	0.406	2	123.0273	1.269	3	123.0273	1.269	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]HH){1|Si<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]SiH)(C[5]N[5]O){1|C<4>,2|C<3>,4|H<1>}	121.8350	0.000	1	121.8350	0.000	1	123.0273	1.269	3	123.0273	1.269	3	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	122.9050	8.938	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:O[6]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6])	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(C[5,6]C[5]O[6]){1|Si<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]Si[5,6]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]C[5])(O[6]Si[5,6]){1|H<1>,2|C<4>,6|C<3>}	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	122.9050	8.938	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	121.4060	0.000	1	121.4060	0.000	1	121.4060	0.000	1	122.6410	3.050	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]C)(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]N[6])(C[6]C[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	122.6410	3.050	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:4:	C[3x5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH)	C[5,6](C[3x5,6]C[5,6,6a]C[3x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|Si<4>,2|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[3x5]Si)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	122.8390	4.824	2	122.6677	6.123	43	122.6518	5.850	45
818	643	818	6:SP2_SP2_SP2	C[5,6]	C[6,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:4:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5]C[5]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,4|C<3>}	124.3920	0.000	1	124.3920	0.000	1	124.3920	0.000	1	122.8390	4.824	2	122.6677	6.123	43	122.6518	5.850	45