818	643	846	0:SP2_SP2_SP2	C[5]	C[6a]	C[4,5]	3:3:3:	3:3:3:	4:3:3:	C[4,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[4,5]-3:C[5]-3:	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[4,5](C[4,5]C[5,6a]2C[4])(C[4,5]C[5,5]C[4])(C[5]C[6a]C[5])	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[4,5](C[4,5]C[5,6a]2C[4])(C[4,5]C[5,5]C[4])(C[5]C[6a]C[5]){1|O<1>,9|C<3>}	129.7680	0.000	1	129.7680	0.000	1	129.7680	0.000	1	129.7680	0.000	1	130.9287	2.732	3	130.9287	2.732	3
818	643	846	0:SP2_SP2_SP2	C[5]	C[6a]	C[4,5]	3:3:4:	3:3:3:	3:3:4:	C[4,5]-3:C[6a]-3:C[5]-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-3:C[5]-3:C[4]-4:	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH)	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2	C[4,5](C[4,5]C[4]C[5])(C[5]C[6a]C[5])(C[4]C[4]CO)	C[5](C[4,5]C[4,5]C[4])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[4,5]C[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[4,5](C[4,5]C[4]C[5])(C[5]C[6a]C[5])(C[4]C[4]CO){3|C<3>,4|H<1>}	131.5090	1.855	2	131.5090	3.443	2	131.5090	3.443	2	131.5090	3.443	2	130.9287	2.732	3	130.9287	2.732	3
818	643	888	0:SP2_SP2_SP2	C[5]	C[6a]	Se[5]	3:3:3:	3:3:3:	4:3:1:	Se[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O-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	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O)	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>}	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])(O){1|H<1>,7|C<3>}	118.2420	0.000	1	118.2420	0.000	1	118.5350	0.172	2	118.5350	0.172	2	118.5350	0.172	2	118.5350	0.172	2
818	643	888	0:SP2_SP2_SP2	C[5]	C[6a]	Se[5]	3:3:3:	3:3:3:	4:3:1:	Se[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:O-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	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O)	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>}	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	118.8280	0.000	1	118.8280	0.000	1	118.5350	0.172	2	118.5350	0.172	2	118.5350	0.172	2	118.5350	0.172	2
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	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[5]-3:	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)	S[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]S[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>}	S[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]S[5]){1|C<4>,2|C<3>,2|S<2>}	120.6020	0.000	1	120.6020	0.000	1	120.6020	0.000	1	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,3|C<3>}	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6]){1|S<2>,2|B<4>,3|C<3>}	124.2820	0.000	1	124.4977	0.082	3	124.4977	0.082	3	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6]){1|S<2>,2|B<4>,3|C<3>}	124.8220	0.000	1	124.4977	0.082	3	124.4977	0.082	3	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5a]B[6])(S[5]C[5,5a]){1|H<1>,1|N<3>,1|O<2>,1|S<2>,4|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	S[5](C[5,5a]C[5,5a]N[5a,6])(C[5,6]C[6,6a]N[5,6]){1|S<2>,2|B<4>,3|C<3>}	124.3890	0.000	1	124.4977	0.082	3	124.4977	0.082	3	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.7130	0.000	1	122.7130	0.000	1	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	120.7590	0.000	1	120.7590	0.000	1	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	123.1280	0.000	1	123.1280	0.000	1	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,4|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.7130	0.000	1	122.7130	0.000	1	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.8250	0.000	1	123.1417	0.130	3	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	123.3000	0.331	2	123.1417	0.130	3	122.6769	0.799	7	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	124.1280	0.000	1	122.8755	3.138	2	122.8755	3.138	2	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:S[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H)	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	S[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	121.6230	0.000	1	122.8755	3.138	2	122.8755	3.138	2	122.9680	1.777	13	122.9680	1.777	13	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	120.6050	0.868	3	120.4863	0.374	14	120.4863	0.374	14	120.4863	0.374	14	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Cu<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Cu<6>,1|N<2>,1|N<3>,2|C<3>}	120.2940	0.000	1	120.4863	0.374	14	120.4863	0.374	14	120.4863	0.374	14	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	120.4544	0.569	7	120.4863	0.374	14	120.4863	0.374	14	120.4863	0.374	14	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Ni<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Ni<6>,1|N<2>,1|N<3>,2|C<3>}	120.5060	0.814	3	120.4863	0.374	14	120.4863	0.374	14	120.4863	0.374	14	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,1|N<2>,2|C<3>}	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	118.2610	0.000	1	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5])(S[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(S[5]C[5]){3|C<3>}	118.0220	0.000	1	118.0220	0.000	1	119.2590	1.182	3	119.3552	3.878	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(S[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(S[5]C[5]){3|C<3>}	119.8775	0.261	2	119.8775	0.068	2	119.2590	1.182	3	119.3552	3.878	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:P[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-2:	C[5](C[6a]C[6a]2)(P[5]C[5])(S[5]P[5])	C[6a](C[5]P[5]S[5])(C[6a]C[6a]C)2	S[5](C[5]C[6a]P[5])(P[5]C[5])	C[5](C[6a]C[6a]2)(P[5]C[5])(S[5]P[5]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]P[5]S[5])(C[6a]C[6a]C)2{1|P<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]P[5])(P[5]C[5]){1|O<2>,2|C<3>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	119.3552	3.878	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:S[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5])	C[6a](C[6a]C[6a]H)2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(S[5]C[5])	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]S[5]2){1|S<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]S[5])(S[5]C[5]){3|C<3>}	121.1305	0.231	2	121.1305	0.053	2	121.1305	0.053	2	119.3552	3.878	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>}	117.5390	0.000	1	117.5390	0.000	1	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<2>,1|C<4>,2|C<3>}	118.5930	0.000	1	117.9955	0.783	4	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,3|C<3>}	117.7963	0.968	3	117.9955	0.783	4	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]N[5]N){1|H<1>,2|C<3>}	121.5835	1.317	2	121.5042	1.639	4	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S[5](C[5]C[6a]N[5])(C[5]N[5]N){1|Zn<4>,2|C<3>}	121.4250	1.776	2	121.5042	1.639	4	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]N[5]P)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Cu<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]N[5]P){1|Cu<4>,2|C<3>}	122.9380	0.000	1	122.9380	0.000	1	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	123.3380	0.000	1	123.3380	0.000	1	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	122.9530	0.000	1	123.1040	1.083	3	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])2{1|Pd<4>,4|C<3>}	123.1795	1.460	2	123.1040	1.083	3	120.7947	6.188	14	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2	S[5](C[5]C[6a]N[5])(N[5]C[5]As)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5]){1|As<6>,2|F<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>}	S[5](C[5]C[6a]N[5])(N[5]C[5]As){3|C<3>}	124.0160	0.000	1	124.0160	0.000	1	124.0160	0.000	1	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2{6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]S[5]){1|H<1>,1|N<3>,3|C<3>}	122.6317	0.318	4	122.6317	0.101	4	122.7717	0.812	8	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]2)(S[5]C[5,5a])2{2|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5]){1|S<2>,3|C<3>}	122.9117	1.320	4	122.9117	1.742	4	122.7717	0.812	8	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5,6]C[5,6]S[6])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6])2{2|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5,6]C[5,6]S[6])(C[5]C[6a]S[5]){1|C<4>,1|S<2>,2|C<3>}	123.8347	0.309	4	123.8347	0.095	4	123.8347	0.095	4	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]2)(S[5]C[5,6a])2{6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]){1|H<1>,4|C<3>}	123.7235	0.726	2	123.7235	0.527	2	123.7235	0.527	2	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]C[5])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]S[5]){5|C<3>}	124.1910	0.434	2	124.1910	0.188	2	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]C)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{1|C<4>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]C){1|S<2>,2|C<3>}	124.5585	1.279	4	123.7095	1.888	10	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]C)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]C){1|C<4>,2|C<3>}	123.1435	1.206	6	123.7095	1.888	10	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]C[6])	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]C[6]){5|C<3>}	123.9260	1.058	12	123.9260	1.119	12	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]H)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]H){1|H<1>,2|C<3>}	123.9180	0.542	4	123.9180	0.294	4	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]S)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{1|C<4>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]S){1|C<4>,2|C<3>}	124.3245	2.352	4	124.0713	1.169	31	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]S)	C[5](C[6a]C[6a,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]S[5]2){2|H<1>,7|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]S){1|S<2>,2|C<3>}	124.0338	0.836	27	124.0713	1.169	31	123.9741	1.148	59	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a,6a]C[6a])(S[5]C[5,6a])2{1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(C[5]S[5]2){1|H<1>,1|N<3>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]){1|H<1>,4|C<3>}	123.5450	3.773	2	123.5450	14.236	2	123.5450	14.236	2	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5])	C[6a](C[6a]C[6a]H)2(C[5]S[5]2)	S[5](C[5]C[6a]S[5])2	C[5](C[6a]C[6a]2)(S[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]S[5]2){1|S<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]S[5])2{4|C<3>}	119.9625	0.301	2	119.9625	0.090	2	116.0005	21.561	4	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:S[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5])2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2)	S[5](C[5]C[6a]S[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(S[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[5]S[5]2){1|H<1>,1|O<2>,3|C<3>}	S[5](C[5]C[6a]S[5])(C[5]C[5]C){1|C<4>,2|C<3>}	112.0385	1.343	2	112.0385	1.803	2	116.0005	21.561	4	123.0390	6.002	94	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	S[5](C[5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	119.0520	0.000	1	119.0520	0.000	1	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	120.1990	0.205	2	120.1990	0.042	2	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	117.7970	0.000	1	118.6050	1.306	2	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|N<3>,1|O<1>,4|C<3>}	119.4130	0.000	1	118.6050	1.306	2	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	118.2840	0.000	1	118.2840	0.000	1	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	119.4582	0.814	6	119.4529	0.552	7	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	119.4210	0.000	1	119.4529	0.552	7	119.3165	0.708	13	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	119.7800	0.000	1	118.4905	3.258	4	118.4905	3.258	4	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	118.4100	0.000	1	118.4905	3.258	4	118.4905	3.258	4	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	117.8860	2.715	2	118.4905	3.258	4	118.4905	3.258	4	119.1221	1.272	17	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	S[5](C[4,5]C[4,5]O[4]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,2|C<3>}	118.9270	0.000	1	118.9270	0.000	1	118.9270	0.000	1	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]N[5]){1|C<4>,1|S<2>,4|C<3>}	120.4780	0.390	2	120.4780	0.152	2	120.4780	0.152	2	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	S[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]N[5]){1|H<1>,1|O<1>,5|C<3>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5]){1|N<2>,5|C<3>}	121.3585	0.204	2	121.5187	0.098	3	121.9360	0.762	4	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,5]N[5]2S[5])(C[5]C[6a]N[5]){6|C<3>}	121.8390	0.000	1	121.5187	0.098	3	121.9360	0.762	4	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	S[5](C[5,5]C[5]2O[5])(C[5]C[6a]N[5]){1|O<1>,2|H<1>,4|C<3>}	123.1880	0.000	1	123.1880	0.000	1	121.9360	0.762	4	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6]C[5a,6]N[5]N[6])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	S[5](C[5,6]C[5a,6]N[5]N[6])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	122.3830	0.000	1	122.3830	0.000	1	122.3830	0.000	1	121.0383	1.932	9	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:3:	3:3:3:	4:3:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	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	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	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>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<2>,6|C<3>}	118.5275	2.017	2	118.5128	0.462	16	118.5128	0.462	16	118.5128	0.462	16	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:3:	3:3:3:	4:3:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	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	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	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>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	118.6627	0.480	6	118.5128	0.462	16	118.5128	0.462	16	118.5128	0.462	16	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:2:3:	3:3:3:	4:3:	C[5]-3:S[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	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	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5])	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>}	S[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	118.3967	0.459	8	118.5128	0.462	16	118.5128	0.462	16	118.5128	0.462	16	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|N<2>,2|S<2>}	118.3815	0.343	2	117.7536	2.728	5	117.8028	2.197	6	117.8028	2.197	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|N<2>,2|S<2>}	117.3350	2.177	3	117.7536	2.728	5	117.8028	2.197	6	117.8028	2.197	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:2:2:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:N[6a]-2:N[6a]-2:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|N<2>,2|S<2>}	118.0490	0.000	1	118.0490	0.000	1	117.8028	2.197	6	117.8028	2.197	6	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:2:	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[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	S[5](C[5]C[6a]C[5])(S[5]C[5])	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>}	S[5](C[5]C[6a]C[5])(S[5]C[5]){1|H<1>,1|S<1>,2|C<3>}	117.4230	0.342	3	117.4230	0.117	3	117.4230	0.117	3	117.4230	0.117	3	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	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	S[5](C[5,5]N[5,5]N[5])(C[5]C[6a]C[5])	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>}	S[5](C[5,5]N[5,5]N[5])(C[5]C[6a]C[5]){1|S<1>,2|C<4>,3|C<3>}	117.3487	0.219	3	117.3487	0.048	3	117.3487	0.048	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-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	S[5](C[5,5a]N[5,5a]N[5a,6])(C[5]C[6a]C[5])	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>}	S[5](C[5,5a]N[5,5a]N[5a,6])(C[5]C[6a]C[5]){1|C<4>,5|C<3>}	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){2|S<2>,3|C<3>}	114.9020	0.298	2	114.7442	0.513	13	114.7678	0.541	15	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){2|S<2>,3|C<3>}	114.7155	0.775	11	114.7442	0.513	13	114.7678	0.541	15	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[6a]S[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>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]S[5]){5|C<3>}	114.9210	1.164	2	114.9210	1.355	2	114.7678	0.541	15	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[5a]N[5])(C[5]C[6a]C[5])	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>}	S[5](C[5]C[5a]N[5])(C[5]C[6a]C[5]){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	119.0130	0.000	1	119.0130	0.000	1	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]N[5]C)	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>}	S[5](C[5]C[6a]C[5])(C[5]N[5]C){1|C<4>,3|C<3>}	118.6600	0.000	1	118.6600	0.000	1	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]N[5]S)	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>}	S[5](C[5]C[6a]C[5])(C[5]N[5]S){1|C<4>,1|O<2>,2|C<3>}	119.1010	0.000	1	119.2135	0.025	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]N[5]S)	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>}	S[5](C[5]C[6a]C[5])(C[5]N[5]S){1|C<4>,1|H<1>,2|C<3>}	119.3260	0.000	1	119.2135	0.025	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	120.5265	0.742	2	120.5265	0.550	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]N[5]N)	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>}	S[5](C[5]C[6a]C[5])(C[5]N[5]N){1|H<1>,1|S<4>,2|C<3>}	120.8460	0.132	2	120.8460	0.017	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(S[5]C[5])	C[6a](C[5]C[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(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|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<6>,5|C<3>}	117.5350	0.000	1	117.5350	0.000	1	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]N[5]N)	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>}	S[5](C[5]C[6a]C[5])(C[5]N[5]N){1|S<1>,3|C<3>}	116.7273	0.603	3	116.7273	0.363	3	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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)	S[5](C[5]C[6a]C[5])(C[5]N[6]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]N[6]S[5]){1|Br<1>,2|C<3>,2|C<4>}	117.6390	0.000	1	117.6390	0.000	1	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|C<4>,2|C<3>,2|S<2>}	115.9268	1.650	5	115.9268	2.723	5	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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)	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	118.0070	0.000	2	118.0070	0.000	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	118.1524	0.534	5	117.9037	0.399	11	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	117.2640	0.000	1	117.9037	0.399	11	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	117.7830	0.716	5	117.9037	0.399	11	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]S[5]C)	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>}	S[5](C[5]C[6a]C[5])(C[5]S[5]C){1|H<1>,2|C<3>}	118.5240	0.385	2	118.5240	0.148	2	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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)	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	117.4900	0.912	5	117.3513	0.781	6	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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)	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|H<1>,2|C<3>,2|S<2>}	116.6580	0.000	1	117.3513	0.781	6	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5])	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]S[5]){1|Si<4>,2|C<3>,2|S<2>}	114.8530	0.000	1	114.8530	0.000	1	117.8200	2.362	40	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	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[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	S[5](C[5]C[6a]C[5])(N[5]C[5]N)	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>}	S[5](C[5]C[6a]C[5])(N[5]C[5]N){1|H<1>,3|C<3>}	121.1040	0.000	1	121.1040	0.000	1	121.1040	0.000	1	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Be)(S[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Be<4>,1|H<1>,2|C<3>}	123.4400	0.000	1	123.4400	0.000	1	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]S)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]S){1|C<4>,3|C<3>}	122.1395	0.177	2	122.1395	0.032	2	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]H){2|C<3>,2|H<1>}	121.8430	0.000	1	121.8430	0.000	1	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Ir<6>,1|H<1>,2|C<3>}	129.6503	0.367	3	129.6503	0.135	3	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Re<6>,2|H<1>,3|C<3>}	S[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Re<6>,1|C<4>,2|C<3>}	117.0650	1.455	2	117.0650	2.118	2	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(S[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	121.8930	0.000	1	121.8930	0.000	1	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(S[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])2{1|Pd<4>,4|C<3>}	122.0710	0.854	2	122.0710	0.730	2	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]V)(S[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,1|V<6>,2|C<3>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]N[5]S){1|V<6>,2|C<3>}	122.5920	0.000	1	122.5920	0.000	1	123.1746	17.668	13	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[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[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	C[5](N[5]C[5,6]Ir)(C[6a]C[6a]2)(S[5]C[5,6]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Ir<6>,1|F<1>,2|C<2>,2|C<3>}	127.1850	0.000	1	127.1850	0.000	1	126.8037	0.116	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[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[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6]){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,4|C<3>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Pt<4>,1|C<2>,1|H<1>,3|C<3>}	126.5280	0.000	1	126.6130	0.014	2	126.8037	0.116	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[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[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5])	C[5](N[5]C[5,6]Pt)(C[6a]C[6a]2)(S[5]C[5,6]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|C<4>,4|C<3>}	S[5](C[5,6]C[5,6]C[6])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,4|C<3>}	126.6980	0.000	1	126.6130	0.014	2	126.8037	0.116	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,2|C<4>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	120.2225	0.359	2	120.0118	0.321	6	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<5>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<5>,1|H<1>,4|C<3>}	119.9065	0.670	4	120.0118	0.321	6	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Al<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	119.1125	0.452	2	119.1125	0.204	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Be<4>,1|H<1>,4|C<3>}	121.4320	0.235	2	121.4320	0.055	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]C)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	120.0650	0.000	1	120.0650	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	120.2545	0.373	2	120.2545	0.139	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	124.2270	0.000	2	124.2270	0.000	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]N[6a]O){3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	123.7780	0.000	1	123.7780	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]H)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	122.7575	0.506	2	122.7575	0.256	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	117.9640	0.000	1	117.9640	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|C<4>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	126.9767	0.463	4	126.9767	0.215	4	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	127.0800	0.782	4	126.9444	0.734	84	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	126.3800	0.940	2	126.9444	0.734	84	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	126.9664	0.883	74	126.9444	0.734	84	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<7>,1|H<1>,4|C<3>}	126.6845	0.255	4	126.9444	0.734	84	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<5>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ni<5>,1|H<1>,4|C<3>}	118.7980	0.000	1	118.7980	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	125.3840	0.000	1	126.5363	1.012	3	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	127.1125	0.179	2	126.5363	1.012	3	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(S[5]C[5,6a]){1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pd)(C[6a]C[6a]O){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	127.3680	0.000	1	127.3680	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,4|C<3>}	118.6650	0.000	1	118.6650	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,4|C<3>}	126.1670	0.000	1	126.1670	0.000	1	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	118.4714	0.792	7	118.4946	0.474	9	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	118.5755	0.098	2	118.4946	0.474	9	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Rh)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Rh)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Rh<6>,1|H<1>,4|C<3>}	125.6950	1.403	2	125.6950	1.968	2	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|F<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Zn<4>,2|F<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Zn<4>,1|F<1>,4|C<3>}	121.4060	0.803	2	121.9453	0.608	4	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|F<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Zn<4>,2|F<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Zn<4>,1|H<1>,4|C<3>}	122.4845	0.124	2	121.9453	0.608	4	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Zn<4>,1|H<1>,4|C<3>}	119.4450	0.000	1	119.0960	0.105	5	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Zn<5>,1|H<1>,4|C<3>}	119.1795	0.367	2	119.0960	0.105	5	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Zn)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,1|O<3>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<5>,2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Zn<5>,1|H<1>,4|C<3>}	118.8380	0.123	2	119.0960	0.105	5	124.9283	11.039	134	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<6>,5|C<3>}	120.8600	0.000	1	121.1810	2.778	3	121.1810	2.778	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(S[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	S[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	121.3415	2.324	2	121.1810	2.778	3	121.1810	2.778	3	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir){1|C<4>,1|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	126.6935	0.520	2	126.6935	0.270	2	127.1689	0.468	7	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(S[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]S[5])(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	126.8940	0.117	2	126.8940	0.014	2	127.1689	0.468	7	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a])	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pt)(C[6a]C[6a]2)(S[5]C[5,6a]){1|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]Pt)(C[5]N[5]S[5])(C[6a]C[6a]O){5|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,4|C<3>}	127.6690	0.764	3	127.6690	0.584	3	127.1689	0.468	7	122.7282	21.333	220	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:4:	C[5,6]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	S[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	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>}	S[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,4|C<3>}	117.3920	0.000	1	117.3920	0.000	1	117.3920	0.000	1	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	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]-3:P[5]-4:	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	S[5](C[5]C[6a]C[5])(P[5]S[5]SS)	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>}	S[5](C[5]C[6a]C[5])(P[5]S[5]SS){3|C<3>}	112.8140	1.360	6	112.8140	1.851	6	112.8140	1.851	6	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	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:C[5]-4:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	115.6940	0.000	1	115.2805	0.342	2	115.2805	0.342	2	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	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:C[5]-4:	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	S[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	S[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	114.8670	0.000	1	115.2805	0.342	2	115.2805	0.342	2	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,3|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	121.6390	0.407	2	121.6390	0.166	2	120.7644	9.568	13	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|H<1>}	117.9470	0.000	1	117.9470	0.000	1	120.7644	9.568	13	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(S[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]Ni)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,3|C<3>}	127.3240	0.054	2	127.3240	0.003	2	120.7644	9.568	13	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	S[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(S[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	S[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|H<1>}	119.2580	0.372	8	119.2580	0.138	8	120.7644	9.568	13	117.9443	19.058	22	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	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>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|S<2>,2|C<4>,4|C<3>}	114.3725	0.853	2	114.3725	0.728	2	117.0503	9.814	4	117.1933	4.560	11	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	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>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	119.7280	0.175	2	119.7280	0.031	2	117.0503	9.814	4	117.1933	4.560	11	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	P[3,5]-4:C[5]-3:	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	S[5](P[3,5]C[3,5]C[3]W)(C[5]C[6a]C[5])	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>}	S[5](P[3,5]C[3,5]C[3]W)(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	116.1500	0.000	2	116.1500	0.000	2	116.1500	0.000	2	117.1933	4.560	11	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	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]-4:C[5]-3:	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	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5])	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>}	S[5](C[5]C[6a]N[5]O)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,4|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	117.1933	4.560	11	121.8154	17.164	419	121.8501	16.734	432
818	643	891	0:SP2_SP2_SP2	C[5]	C[6a]	S[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:C[5]-3:S[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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)	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5])	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>}	S[5](C[5,6]C[5,6]2C)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	117.0955	1.233	4	117.0955	1.521	4	117.0955	1.521	4	117.1933	4.560	11	121.8154	17.164	419	121.8501	16.734	432
818	643	897	0:SP2_SP2_SP3	C[5]	C[6a]	O[4,5]	3:3:3:	3:3:3:	5:4:3:	O[4,5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Ga[4,4,5,5]-5:Ga[4]-4:C[5]-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	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5])	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>}	O[4,5](Ga[4,4,5,5]O[4,5]3I)(Ga[4]O[4,5]II)(C[5]C[6a]C[5]){1|Ga<4>,5|C<3>}	114.9657	0.741	4	114.9657	0.550	4	114.9657	0.550	4	114.9657	0.550	4	114.9657	0.550	4	114.9657	0.550	4
818	643	955	0:SP2_SP2_SP3	C[5,6]	C[6a]	P[5,5,6]	4:3:3:	3:3:2:	4:3:4:1:	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[5,5]-4:S-1:	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])	P[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(S)	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>}	P[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(S){1|N<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	125.1310	0.000	1	127.4792	3.851	6	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5,6]	C[6a]	P[5,5,6]	4:3:3:	3:3:3:	3:3:4:3:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5,5]-4:C[6a]-3:	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	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2)	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>}	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	128.6920	0.728	4	128.6920	0.530	4	128.6920	0.530	4	128.6920	0.530	4	127.4792	3.851	6	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5,6]	C[6a]	P[5,5,6]	4:3:3:	3:3:3:	3:4:4:1:	P[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:S-1:	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	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(S)	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>}	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(S){1|H<1>,2|C<3>,3|C<4>}	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	127.4792	3.851	6	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5,5]	4:3:3:	3:3:3:	4:3:3:1:	P[5,5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5,5]-4:C[5,6a]-3:C[5]-3:Se-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	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se)	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>}	P[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Se){3|H<1>,7|C<3>}	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:3:4:	3:3:3:	3:3:4:1:	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-4:O-1:	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	P[5](C[5]C[6a]C[5])2(CHHO)(O)	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>}	P[5](C[5]C[6a]C[5])2(CHHO)(O){6|C<3>}	120.2100	0.868	2	120.2100	0.754	2	120.2100	0.754	2	120.2100	0.754	2	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:P[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:C-4:	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5]){4|C<3>,4|H<1>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	P[5](C[5]C[6a]N[5])(C[5]B[5]HH)(CC3)2{4|C<3>}	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:2:1:	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:O-2:O-1:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC)(O){1|H<1>,5|C<3>}	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:O-1:	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	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)(O)	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>}	P[5](C[5]C[5,6]C[6a])2(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,6|C<3>}	122.3215	1.785	2	122.3215	3.188	2	122.3215	3.188	2	121.4230	4.016	3	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:1:	C[5,6a]-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:S-1:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2)	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](C[5]C[5,6a]P[5])(C[6a]C[6a]H)2{1|S<1>,2|O<2>,5|C<3>}	P[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)(S){2|H<1>,8|C<3>}	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	121.4230	4.016	3	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:2:	C[5,5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:N-2:	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	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS)	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>}	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS){2|C<4>,2|H<1>,6|C<3>}	124.0680	0.382	2	124.0680	0.146	2	124.0680	0.146	2	124.0680	0.146	2	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:N[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	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O)	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>}	P[5](C[5]C[5,6]C[6a])(C[6a]C[6a]2)2(N[5]B[5,6]O){2|C<4>,2|F<1>,9|C<3>}	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	3:3:4:1:	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:S-1:	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	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S)	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>}	P[5](C[5]C[6a]C[5])(C[5]C[5]2)(CCCH)(S){1|P<4>,2|C<4>,3|C<3>}	123.5110	1.171	6	123.5110	1.370	6	123.5110	1.370	6	123.5110	1.370	6	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:3:	3:3:3:	4:3:4:1:	C[5]-3:P[5]-4:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	P[4,5]-4:C[5]-3:C-4:O-1:	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	P[5](P[4,5]C[4,5]N[4]O)(C[5]C[6a]C[5])(CCCH)(O)	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>}	P[5](P[4,5]C[4,5]N[4]O)(C[5]C[6a]C[5])(CCCH)(O){2|C<4>,4|C<3>}	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:4:	3:2:3:	3:3:3:3:	C[6a]-3:P[5]-4:P[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2)	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2{10|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2){2|H<1>,7|C<3>}	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]C){1|N<2>,1|O<1>,4|H<1>,7|C<3>}	127.6110	0.000	1	127.6110	0.000	1	124.8370	15.390	2	124.8370	15.390	2	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	3:4:4:	3:2:3:	3:3:3:3:	C[6a]-3:P[5]-4:P[5]-4:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2)	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]O)	C[5](C[6a]C[6a]N[6a])(P[5]C[6a]2C[5])2{10|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]P[5]2){2|H<1>,7|C<3>}	P[5](C[5]C[6a]P[5])(C[6a]C[6a]2)2(C[5]C[5]O){1|C<4>,1|N<2>,4|H<1>,7|C<3>}	122.0630	0.000	1	122.0630	0.000	1	124.8370	15.390	2	124.8370	15.390	2	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:2:	3:3:3:	3:3:4:1:	P[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C-4:S-1:	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(S)	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(S){1|H<1>,4|C<3>}	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:2:1:	P[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:S-1:	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	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	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>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){2|C<4>,2|H<1>,5|C<3>}	123.8955	0.342	2	123.8955	0.117	2	123.8955	0.117	2	119.4760	26.264	4	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:2:1:	P[5]-4:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:Se[5]-2:Se-1:	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	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se)	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>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]Se[5])(Se){2|H<1>,5|C<3>}	115.0565	0.740	2	115.0565	0.548	2	115.0565	0.548	2	119.4760	26.264	4	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-1:	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)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	122.3110	0.000	1	122.3110	0.000	1	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-1:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	119.7570	0.000	1	119.7570	0.000	1	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-1:	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)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	122.4360	0.000	1	122.4360	0.000	1	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-1:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){2|H<1>,8|C<3>}	121.1430	0.000	1	120.9857	0.088	4	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-1:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){3|H<1>,7|C<3>}	120.9333	0.341	3	120.9857	0.088	4	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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:C[6a]-3:O-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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(O){4|H<1>,6|C<3>}	123.2742	0.815	4	123.2742	0.664	4	121.9585	1.817	11	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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]-3:C[5]-3:C[6a]-3:O-1:	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	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	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>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|C<4>,8|C<3>}	121.7417	0.391	4	121.4605	0.315	8	121.4605	0.315	8	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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]-3:C[5]-3:C[6a]-3:O-1:	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	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O)	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>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(O){2|H<1>,8|C<3>}	121.1792	0.609	4	121.4605	0.315	8	121.4605	0.315	8	121.7488	1.195	19	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:3:2:	P[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]-2:	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	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5])	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>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5]){1|H<1>,4|C<4>,8|C<3>}	128.9530	1.499	2	128.9530	2.247	2	128.9530	2.247	2	128.9530	2.247	2	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[6a]-3:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cl<1>,5|H<1>,8|C<3>}	122.9430	0.000	1	122.9430	0.000	1	125.0013	3.541	3	125.0013	3.541	3	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[6a]-3:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	126.0305	0.852	2	126.0305	0.726	2	125.0013	3.541	3	125.0013	3.541	3	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[5,6a]-3:C[5]-3:C[6a]-3:C-4:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CCHH){4|H<1>,6|C<3>}	124.6965	0.234	2	124.6965	0.055	2	124.5553	0.507	4	125.0485	0.617	12	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[5,6a]-3:C[5]-3:C[6a]-3:C-4:	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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CH3){4|H<1>,6|C<3>}	124.4140	1.178	2	124.4140	1.388	2	124.5553	0.507	4	125.0485	0.617	12	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[6a]-3:C-4:	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	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3)	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>}	P[5](C[5]C[6a]C[5])2(C[6a]C[6a]2)(CH3){4|H<1>,6|C<3>}	125.0087	0.592	6	125.0087	0.351	6	125.0087	0.351	6	125.0485	0.617	12	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	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[6a]-3:C[5]-3:C[5]-3:C[5]-4:	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	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H)	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>}	P[5](C[6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[5]C[5]2H){1|O<2>,1|P<3>,5|H<1>,8|C<3>}	126.1545	0.279	2	126.1545	0.078	2	126.1545	0.078	2	125.0485	0.617	12	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:1:	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:C[6]-4:O-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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O)	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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]2H)(O){3|C<4>,4|C<3>,5|H<1>}	123.5060	0.000	1	123.5060	0.000	1	123.5060	0.000	1	123.5060	0.000	1	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Cr)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cr<6>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Cr<6>,1|H<1>,4|C<3>}	119.8580	0.000	1	119.8580	0.000	1	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Hf)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Hf<6>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Hf<6>,1|H<1>,4|C<3>}	118.9080	0.000	1	118.9080	0.000	1	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Mo)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Mo<6>,1|H<1>,4|C<3>}	120.7950	0.294	2	120.7950	0.087	2	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Pt)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Pt<4>,1|H<1>,4|C<3>}	124.6950	0.000	1	124.6950	0.000	1	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Rh)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Rh<8>,1|H<1>,4|C<3>}	123.3380	0.000	1	123.3380	0.000	1	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	955	0:SP2_SP2_SP3	C[5]	C[6a]	P[5]	4:3:3:	3:3:3:	3:3:4:4:	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-4:C-4:	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2)	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2	C[5](P[5]C[5,6a]CC)(C[5]C[5,6a]Ru)(C[6a]C[6a]2){1|H<1>,1|P<4>,4|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<9>,2|C<4>,2|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCCH)2{1|Ru<9>,1|H<1>,4|C<3>}	123.1180	0.000	1	123.1180	0.000	1	121.6439	4.426	7	121.6439	4.426	7	122.9101	7.167	68	123.2625	8.329	75
818	643	959	0:SP2_SP2_SP3	C[5]	C[6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	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:O-1:O-1:	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	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)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>}	S[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(O)2{1|S<2>,5|C<3>}	117.5270	0.520	2	117.5270	0.271	2	117.5270	0.271	2	118.0191	1.077	10	118.3706	1.573	12	118.3706	1.573	12
818	643	959	0:SP2_SP2_SP3	C[5]	C[6a]	S[5]	3:4:3:	3:3:3:	3:3:1:1:	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:O-1:O-1:	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	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{1|H<1>,5|C<3>}	118.1421	1.122	8	118.1421	1.259	8	118.1421	1.259	8	118.0191	1.077	10	118.3706	1.573	12	118.3706	1.573	12
818	643	959	0:SP2_SP2_SP3	C[5]	C[6a]	S[5]	4:3:3:	3:3:3:	3:3:1:1:	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:O-1:O-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)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{2|H<1>,4|C<3>}	119.8150	0.000	1	119.8150	0.000	1	120.1280	0.196	2	120.1280	0.196	2	118.3706	1.573	12	118.3706	1.573	12
818	643	959	0:SP2_SP2_SP3	C[5]	C[6a]	S[5]	4:3:3:	3:3:3:	3:3:1:1:	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:O-1:O-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	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2	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>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)2{1|H<1>,1|O<2>,4|C<3>}	120.4410	0.000	1	120.4410	0.000	1	120.1280	0.196	2	120.1280	0.196	2	118.3706	1.573	12	118.3706	1.573	12
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:2:	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: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)	N[5](C[5,6]C[6,6a]C[5,6])(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>}	N[5](C[5,6]C[6,6a]C[5,6])(S[5]S[5]){3|C<3>}	121.3162	0.625	6	121.3162	0.391	6	121.3162	0.391	6	121.3162	0.391	6	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	127.6350	0.000	1	127.6350	0.000	1	127.6350	0.000	1	127.6350	0.000	1	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6,6a]-3:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:P[5]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5])	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	N[5](C[5,6]C[5,6,6a]C[6,6a])(P[5]C[5,6a]CC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5]P[5]){1|P<3>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6,6a]C[6,6a])(P[5]C[5,6a]CC){4|C<3>}	124.7590	0.000	1	124.7590	0.000	1	124.7590	0.000	1	126.3383	2.459	4	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]){1|N<2>,3|C<3>,5|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH){2|H<1>,3|C<3>}	128.5070	0.000	1	128.5070	0.000	1	128.5070	0.000	1	126.3383	2.459	4	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:N[5,6]-3:N[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5a,6]C[5])(N[5]C[5]){1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[5,6]N[5,6]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH){2|H<1>,3|C<3>}	126.0435	0.074	2	126.0435	0.006	2	126.0435	0.006	2	126.3383	2.459	4	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|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|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.4180	0.000	1	125.3220	2.402	2	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|N<3>,3|C<3>,4|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|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	124.2260	0.000	1	125.3220	2.402	2	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	127.8100	0.000	1	127.0880	1.237	5	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	127.8020	0.434	2	127.0880	1.237	5	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	125.3390	0.000	1	127.0880	1.237	5	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	126.6870	0.000	1	127.0880	1.237	5	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	126.1790	0.000	1	126.1790	0.000	1	126.5329	1.707	8	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[6a,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]O[5]){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	127.5230	0.000	1	127.5230	0.000	1	127.5230	0.000	1	126.6429	1.603	9	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|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|N<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	124.5750	0.287	2	124.5750	0.082	2	126.3721	1.968	11	126.3721	1.968	11	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,4|C<3>,4|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|N<3>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	124.6800	0.000	1	124.6800	0.000	1	126.3721	1.968	11	126.3721	1.968	11	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	127.5910	0.000	1	127.2203	0.803	7	126.3721	1.968	11	126.3721	1.968	11	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]N[5]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	127.1585	0.965	6	127.2203	0.803	7	126.3721	1.968	11	126.3721	1.968	11	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]O)(N[5]N[5]){3|O<2>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	N[5](C[5,6]C[6,6a]C[5,6])(N[5]C[6a]S[5]){1|C<4>,1|O<2>,4|C<3>}	125.7210	0.000	1	125.7210	0.000	1	126.3721	1.968	11	126.3721	1.968	11	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6,6a]-3:C[5,6]-4:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O)(N[5]C[5]){1|O<2>,2|C<3>,2|C<4>,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|O<2>,3|C<4>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.9805	0.334	2	124.9805	0.112	2	124.9805	0.112	2	124.9805	0.112	2	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,6,6]-4:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:O[5]-2:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5])	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6,6]C[6,6a])(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[5]O[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6a])(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	126.7530	0.000	1	126.7530	0.000	1	126.7530	0.000	1	126.7530	0.000	1	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|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){3|H<1>,5|C<3>}	N[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	126.2300	0.000	1	126.2300	0.000	1	126.2300	0.000	1	126.2300	0.000	1	125.5345	5.208	35	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	120.7440	0.000	1	122.1805	4.127	2	121.3258	1.733	6	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](N[5,6]Si[5,5,6]C[5,6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	123.6170	0.000	1	122.1805	4.127	2	121.3258	1.733	6	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	120.1765	0.070	2	120.8985	0.781	4	121.3258	1.733	6	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	121.6205	0.504	2	120.8985	0.781	4	121.3258	1.733	6	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	Se[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5]){1|H<1>,4|C<3>}	123.2300	0.000	1	123.2300	0.000	1	123.7983	0.246	3	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	3:3:	Se[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])	C[5](Se[5]C[5,6a])(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5]){1|H<1>,4|C<3>}	124.0825	0.091	2	124.0825	0.008	2	123.7983	0.246	3	122.1500	2.673	9	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	2:3:2:	3:3:3:	4:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5])	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5,5]C[4]H)(C[5]C[6a]O[5]){2|C<3>,4|C<4>}	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	2:2:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	N[6a]-2:N[6a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]N[6a]2)(N[5]N[5])2	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]N[6a]2)(N[5]N[5])2{2|C<3>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){2|N<2>}	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	118.4317	16.478	3	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	2:2:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	N[6a]-2:N[6a]-2:C[5]-3:	C[5]-3:Se[5]-2:	C[5](C[6a]N[6a]2)(N[5]Se[5])2	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	C[5](C[6a]N[6a]2)(N[5]Se[5])2{2|C<3>}	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|N<2>}	116.0885	0.115	2	116.0885	0.013	2	116.0885	0.013	2	118.4317	16.478	3	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	2:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	N[6a]-2:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2{1|N<2>,2|N<3>}	C[6a](N[6a]N[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|C<3>,3|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	123.8405	0.169	2	123.8405	0.029	2	123.8405	0.029	2	123.8405	0.029	2	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])2{1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){1|C<3>,1|N<2>}	124.1540	1.756	2	124.1540	3.085	2	124.1540	3.085	2	119.9008	8.220	8	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){1|C<3>,1|N<2>}	118.5865	1.303	2	118.4830	1.243	6	118.4830	1.243	6	119.9008	8.220	8	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:2:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]N[6a])(N[5]S[5])2{1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){1|C<3>,1|N<2>}	118.4313	1.223	4	118.4830	1.243	6	118.4830	1.243	6	119.9008	8.220	8	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:2:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a])2{1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,1|N<2>,3|C<3>}	122.8960	6.288	2	122.8960	39.534	2	122.8960	39.534	2	123.7960	8.961	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:2:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])2	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])2{1|C<3>,1|N<2>,3|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|N<2>}	124.2460	0.973	4	124.2460	0.948	4	124.2460	0.948	4	123.7960	8.961	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:2:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]Se[5])(N[5]C[5])	C[5](C[6a]C[6a]N[6a])(Se[5]C[5])(N[5]N[5]){1|H<1>,3|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]Se[5])(N[5]C[5]){1|N<2>,2|C<3>}	122.8615	0.260	2	122.8615	0.067	2	122.8615	0.067	2	122.8615	0.067	2	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	126.7990	0.000	1	126.3230	0.453	2	127.6753	1.565	8	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>}	125.8470	0.000	1	126.3230	0.453	2	127.6753	1.565	8	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Fe){1|N<2>,2|C<3>}	128.2867	1.494	3	128.2867	2.233	3	127.6753	1.565	8	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Pt<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt){1|N<2>,2|C<3>}	127.9653	0.708	3	127.9653	0.501	3	127.6753	1.565	8	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]S[5])(N[5]C[5]Co)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Co){1|N<2>,2|C<3>}	124.7090	1.003	3	124.7090	1.007	3	124.6899	0.350	14	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]S[5])(N[5]C[5]Cu)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Cu<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Cu){1|N<2>,2|C<3>}	124.7610	0.000	1	124.7610	0.000	1	124.6899	0.350	14	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]S[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Fe){1|N<2>,2|C<3>}	124.5989	0.303	7	124.5989	0.092	7	124.6899	0.350	14	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]S[5])(N[5]C[5]Ni)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(S[5]C[5]){1|Ni<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Ni){1|N<2>,2|C<3>}	124.8597	0.959	3	124.8597	0.920	3	124.6899	0.350	14	125.7755	2.899	22	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|H<1>}	125.7260	0.266	2	125.7260	0.071	2	124.9146	2.109	14	124.9162	1.959	15	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>}	124.9530	2.134	4	124.9530	4.553	4	124.9146	2.109	14	124.9162	1.959	15	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	125.1995	0.618	6	124.6925	1.711	8	124.9146	2.109	14	124.9162	1.959	15	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	123.1715	1.974	2	124.6925	1.711	8	124.9146	2.109	14	124.9162	1.959	15	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a])	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>}	124.9390	0.000	1	124.9390	0.000	1	124.9390	0.000	1	124.9162	1.959	15	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.0350	2.408	2	125.0350	5.800	2	125.0350	5.800	2	124.8637	4.214	4	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){1|H<1>,1|N<2>,4|C<3>}	126.5260	0.000	1	126.5260	0.000	1	126.5260	0.000	1	124.8637	4.214	4	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(S[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]S[5]){1|N<2>,2|H<1>,3|C<3>}	122.8590	0.000	1	122.8590	0.000	1	122.8590	0.000	1	124.8637	4.214	4	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a,6a]2)(N[5]S[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a,6a]2)(N[5]S[5])2{4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]N[5]2){2|H<1>,2|S<2>,5|C<3>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.9604	1.594	14	118.9604	2.542	14	118.9604	2.542	14	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]S[5])2{1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5]2){1|H<1>,2|S<2>,4|C<3>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.9155	2.259	4	118.9155	5.103	4	118.9155	5.103	4	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]C[5]){3|C<3>}	121.8020	0.091	4	121.8020	0.008	4	124.2003	1.711	44	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])2{1|C<2>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){2|C<3>}	124.2070	3.725	2	124.2070	13.876	2	124.2003	1.711	44	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){2|C<3>}	124.3913	0.573	20	124.4524	0.926	38	124.2003	1.711	44	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){2|C<3>}	124.5202	1.280	18	124.4524	0.926	38	124.2003	1.711	44	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|O<1>,2|C<3>}	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.7772	3.328	4	118.7772	11.076	4	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.2806	0.420	18	118.4113	0.482	44	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.6847	0.842	20	118.4113	0.482	44	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|N<2>,2|F<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	117.8920	0.411	6	118.4113	0.482	44	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.6375	0.930	15	118.9196	0.670	205	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|F<1>,1|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.3643	0.518	32	118.9196	0.670	205	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|F<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.6526	0.616	12	118.9196	0.670	205	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	119.1116	0.814	142	118.9196	0.670	205	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,1|H<1>,2|S<2>}	N[5](C[5]C[6a]N[5])(S[5]S[5]){2|C<3>}	118.4052	0.339	4	118.9196	0.670	205	118.8289	0.794	253	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|C<3>}	115.2194	1.125	5	115.2194	1.266	5	116.0493	1.881	11	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|F<1>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|C<3>}	115.3940	0.598	2	115.3940	0.358	2	116.0493	1.881	11	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:	C[5](C[6a]C[6a]2)(N[5]Se[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(Se[5]Se[5])	C[5](C[6a]C[6a]2)(N[5]Se[5])2{2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(Se[5]Se[5]){2|C<3>}	117.4142	0.738	4	117.4142	0.545	4	116.0493	1.881	11	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]){3|C<3>}	128.5360	0.000	1	128.5360	0.000	1	128.5360	0.000	1	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(O[5]Ge[3x5])	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ge<6>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]O[5])(O[5]Ge[3x5]){2|C<3>,4|O<2>}	119.6660	0.253	3	119.6660	0.064	3	120.4283	0.653	13	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(O[5]Si[3x5])	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]O[5])(O[5]Si[3x5]){2|C<3>,4|O<2>}	120.5766	0.779	9	120.5766	0.607	9	120.4283	0.653	13	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(O[5]Si[5])	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]O[5])(O[5]Si[5]){1|F<1>,2|C<3>,2|C<4>}	121.3810	0.000	1	121.3810	0.000	1	120.4283	0.653	13	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[5](C[5]C[6a]S[5])(O[5]C[5,5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]O[5]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	N[5](C[5]C[6a]S[5])(O[5]C[5,5]){1|C<4>,3|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	N[5](C[5]C[6a]Se[5])(N[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]Se[5])(N[5]C[5]){3|C<3>}	122.0270	0.000	1	122.0270	0.000	1	122.8683	0.509	9	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(N[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]Se[5])(N[5]C[5]){3|C<3>}	122.9735	0.684	8	122.9735	0.468	8	122.8683	0.509	9	119.6146	5.046	351	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5]){5|C<3>}	122.8503	0.907	4	122.8503	0.823	4	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5]){5|C<3>}	124.0410	2.239	2	124.0410	5.012	2	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5]){5|C<3>}	123.6585	2.152	2	123.6585	4.630	2	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]C[6a]N[5]){5|C<3>}	122.6537	0.886	21	122.6537	0.784	21	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	124.9357	1.574	4	124.9357	2.477	4	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){5|C<3>}	123.7805	0.187	2	123.7805	0.035	2	123.1381	1.660	35	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]N[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){4|C<3>}	124.8080	0.244	4	124.8080	0.060	4	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]O[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]O[5]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[5]N[5]2){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5])(C[5]O[5]O){2|C<3>}	125.1610	0.000	1	125.1610	0.000	1	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]P[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5]){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]P[5]C){1|C<4>,1|W<6>,2|C<3>}	117.1060	0.000	1	117.1060	0.000	1	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|O<2>,5|C<3>}	119.3940	1.146	2	119.3940	1.312	2	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|N<3>,5|C<3>}	119.3885	0.821	2	119.7501	1.967	8	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|O<2>,5|C<3>}	119.3978	1.229	5	119.7501	1.967	8	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){5|C<3>}	122.2350	0.000	1	119.7501	1.967	8	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C){1|N<3>,2|C<3>}	122.0080	0.000	1	121.9350	0.078	3	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C){3|C<3>}	121.8985	0.385	2	121.9350	0.078	3	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C[6])	C[5](C[6a]C[6a]2)(N[5]C[5])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C[6]){5|C<3>}	122.6840	0.000	1	122.6840	0.000	1	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]N[6])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]N[6]){5|C<3>}	122.9510	0.000	1	122.9510	0.000	1	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Si<4>,2|C<3>,2|H<1>}	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5]){2|C<4>,4|C<3>}	116.4150	0.000	1	116.4150	0.000	1	121.1883	7.289	22	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]N[5]){5|C<3>}	123.8107	0.736	28	123.8107	0.542	28	123.8134	0.517	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Cu)	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Cu<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Cu){1|Cu<5>,2|C<3>}	124.0980	0.774	2	124.0980	0.598	2	123.8134	0.517	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Mo)	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Mo<8>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Mo){1|Mo<8>,2|C<3>}	123.5340	0.221	2	123.5340	0.049	2	123.8134	0.517	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Zn)	C[5](C[6a]C[6a]2)(N[5]N[5])2{2|Zn<5>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Zn){1|Zn<5>,2|C<3>}	123.8465	1.200	2	123.8465	1.440	2	123.8134	0.517	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-3:	C[5](C[6a]C[6a]2)(N[5]S[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]S[5]Cr)	C[5](C[6a]C[6a]2)(N[5]S[5])2{1|Cr<9>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,2|S<3>}	N[5](C[5]C[6a]N[5])(S[5]S[5]Cr){2|C<3>}	118.2375	0.550	8	118.2375	0.303	8	118.2375	0.303	8	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]C){1|O<1>,2|C<3>}	127.5460	0.000	1	127.5460	0.000	1	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]C){1|O<1>,2|C<3>}	127.4267	0.652	16	127.4267	0.425	16	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]O){1|C<4>,3|C<3>}	124.3640	0.000	1	125.4210	0.557	10	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]O){2|C<3>,2|C<4>}	125.2260	0.000	1	125.4210	0.557	10	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]O){2|C<3>,2|C<4>}	125.5775	0.723	8	125.4210	0.557	10	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Pd<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]C){1|O<1>,2|C<3>}	129.9590	0.000	1	129.9590	0.000	1	126.8051	1.749	28	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|S<1>,2|C<3>}	126.7840	0.000	1	126.7840	0.000	1	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	128.0050	0.011	3	128.0390	0.005	4	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	128.1410	0.000	1	128.0390	0.005	4	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	126.0130	0.000	1	126.0130	0.000	1	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	127.2390	0.000	1	127.2390	0.000	1	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	126.6190	0.000	1	125.7913	1.101	3	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	124.6110	0.000	1	125.7913	1.101	3	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|H<1>,3|C<3>}	126.1440	0.000	1	125.7913	1.101	3	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	128.0090	0.000	1	127.8192	1.252	5	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	127.6680	0.000	1	127.8192	1.252	5	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	127.1180	0.000	1	127.8192	1.252	5	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){1|S<1>,2|C<3>}	129.6060	0.000	1	127.8192	1.252	5	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]H){3|C<3>}	126.6950	0.000	1	127.8192	1.252	5	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Ir)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Ir){1|N<2>,2|C<3>}	128.3160	0.593	2	127.7975	2.274	11	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Ir)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Ir){3|C<3>}	127.6822	1.648	9	127.7975	2.274	11	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt){1|S<2>,2|C<3>}	126.4480	0.826	2	127.3328	1.919	4	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt){3|C<3>}	129.2030	0.000	1	127.3328	1.919	4	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<5>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Pt){1|S<2>,2|C<3>}	127.2320	0.000	1	127.3328	1.919	4	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Re)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Re){3|C<3>}	128.7280	0.000	1	128.7280	0.000	1	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5]Ru)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5]Ru){1|N<3>,2|C<3>}	129.7530	0.000	1	129.7530	0.000	1	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]O[5])(N[5]C[5]C){1|C<4>,3|C<3>}	129.0090	0.953	2	129.0090	0.909	2	127.6548	1.856	34	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	127.9360	0.000	1	127.9360	0.000	1	127.9360	0.000	1	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]C){1|O<1>,2|C<3>}	129.3333	0.419	3	129.3333	0.175	3	129.3333	0.175	3	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]P[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5])(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]P[5])(N[5]C[5]C){3|C<3>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5]){1|N<2>,2|C<4>,3|C<3>}	122.1070	0.000	1	122.1325	0.001	2	122.1325	0.001	2	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(S[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5a,6]C[5,6])(C[5]C[6a]S[5]){1|S<2>,2|C<4>,3|C<3>}	122.1580	0.000	1	122.1325	0.001	2	122.1325	0.001	2	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]S[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>}	123.3290	0.000	1	123.3290	0.000	1	123.0497	1.055	7	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]O){2|C<3>,2|C<4>}	123.2850	1.785	2	123.2850	3.185	2	123.0497	1.055	7	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2	N[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]N[5]){1|As<6>,2|F<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]F)2{1|N<3>,2|C<3>,2|F<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6a]S[5]){1|As<6>,4|C<3>}	123.3180	0.000	1	123.3180	0.000	1	123.0497	1.055	7	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]S[5])2	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])2{4|C<3>}	123.9470	0.000	1	123.9470	0.000	1	123.0497	1.055	7	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])2	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]S[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])2{4|C<3>}	122.0920	0.496	2	122.0920	0.246	2	123.0497	1.055	7	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]Cu)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Cu<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Cu){1|P<4>,2|C<3>}	123.3840	0.000	1	123.3840	0.000	1	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|N<3>,2|C<3>}	123.8155	1.001	2	123.3730	1.088	3	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]H){1|S<1>,2|C<3>}	122.4880	0.000	1	123.3730	1.088	3	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]Ir)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Ir){3|C<3>}	123.0620	0.000	1	123.0620	0.000	1	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]Pd)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Pd<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Pd){3|C<3>}	122.5635	0.899	2	122.5635	0.808	2	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(N[5]C[5]Zn)	C[5](C[6a]C[6a]2)(N[5]N[5])(S[5]C[5]){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]S[5])(N[5]C[5]Zn){1|N<3>,2|C<3>}	121.9750	3.775	2	121.9750	14.247	2	122.8491	2.510	9	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5]){2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]C[5,5]C){4|C<3>}	125.9580	0.027	2	125.9580	0.001	2	122.2777	29.046	4	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]In[5]C)	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5]){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|In<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]In[5]C){2|C<3>,2|S<2>}	114.5380	0.000	1	114.5380	0.000	1	122.2777	29.046	4	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]Si[5,5]C){1|N<4>,1|O<2>,3|C<3>}	122.6570	0.000	1	122.6570	0.000	1	122.2777	29.046	4	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[3,5]O)	C[5](C[6a]C[6a]2)(S[5]C[3,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[3,5]O){2|C<3>,2|C<4>}	121.6180	0.000	1	121.6180	0.000	1	122.5992	1.553	5	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5,5]O){1|C<4>,3|C<3>}	121.5250	0.000	1	122.8445	1.669	4	122.5992	1.553	5	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	123.2843	1.159	3	122.8445	1.669	4	122.5992	1.553	5	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(S[5]C[5,5])(N[5]N[5]){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]S[5]){1|N<3>,1|S<2>,4|C<3>}	122.7450	0.296	3	122.7450	0.087	3	122.4700	0.361	4	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:S[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(S[5]C[5,6])(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]S[5]){1|N<3>,5|C<3>}	121.6450	0.000	1	121.6450	0.000	1	122.4700	0.361	4	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){1|H<1>,2|C<3>}	125.1710	0.000	1	124.5253	0.251	6	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){1|Cl<1>,2|C<3>}	124.1160	0.071	2	124.5253	0.251	6	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){2|C<3>}	124.8710	0.000	1	124.5253	0.251	6	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]Se[5])(C[5]C[5]C){1|H<1>,2|C<3>}	124.4390	0.604	2	124.5253	0.251	6	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|N<3>,4|C<3>}	123.6640	0.000	1	123.7692	1.305	8	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(Se[5]C[5])(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	123.7843	1.233	7	123.7692	1.305	8	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]Se[5])(C[5]S[5]N)	C[5](C[6a]C[6a]2)(Se[5]S[5])(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]Se[5])(C[5]S[5]N){2|C<3>}	120.9720	0.000	1	120.9720	0.000	1	123.8852	1.532	15	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,1|H<1>,2|C<4>,3|C<3>}	123.1490	0.000	1	122.1630	0.729	3	122.1630	0.729	3	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:Se[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5])	C[5](C[6a]C[6a]2)(Se[5]C[5,5])(N[5]N[5,5]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5,5]C[5,5]P[5])(C[5]C[6a]Se[5]){1|Se<1>,3|C<3>,3|C<4>}	121.6700	0.017	2	122.1630	0.729	3	122.1630	0.729	3	124.1085	8.579	215	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:P[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(P[5]C[5]CW)	C[5](C[6a]C[6a]2)(N[5]C[5])(N[5]P[5]){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|P<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(P[5]C[5]CW){3|C<3>}	123.2750	0.000	1	123.2750	0.000	1	123.2750	0.000	1	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Si[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(Si[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]Si[5,5])(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Si<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(Si[5,5]C[5]3){4|Si<4>,2|C<4>,3|C<3>}	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	124.2180	0.000	1	124.2180	0.000	1	123.5063	1.021	3	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	122.3500	0.000	1	123.1505	1.282	2	123.5063	1.021	3	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	123.9510	0.000	1	123.1505	1.282	2	123.5063	1.021	3	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	127.6470	0.000	1	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	128.6890	0.000	1	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	128.5665	0.702	2	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	126.2750	0.000	1	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|N<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	124.8080	0.147	2	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5,5]C[5]3){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	124.5520	0.000	1	126.7390	3.468	8	126.7390	3.468	8	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	127.0717	0.446	3	127.0717	0.199	3	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	124.6190	0.000	1	124.6190	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	127.9710	0.528	2	127.1743	2.043	3	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	125.5810	0.000	1	127.1743	2.043	3	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|C<4>}	126.9505	0.190	2	126.9505	0.036	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	124.2060	0.000	1	124.2060	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Co<5>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	127.1090	2.353	2	127.1090	5.538	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<6>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	126.2780	0.000	1	126.2780	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	127.2862	0.874	4	127.2862	0.764	4	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	126.5890	0.000	1	126.8989	0.233	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	127.0079	0.554	10	126.8989	0.233	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|C<4>}	126.7040	0.204	4	126.8989	0.233	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	126.8770	0.000	1	126.9104	0.124	19	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	126.1470	0.000	1	126.9104	0.124	19	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	126.9572	0.318	17	126.9104	0.124	19	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	128.7170	0.000	1	128.7170	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	123.7470	0.000	1	124.0465	0.179	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	124.3460	0.000	1	124.0465	0.179	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	125.3580	1.230	2	125.3580	1.514	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){3|C<3>}	129.2340	0.000	1	129.2340	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]2C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	127.4590	0.000	1	127.4590	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	126.9885	0.921	2	127.3338	1.203	21	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	127.8856	0.646	14	127.3338	1.203	21	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	126.3140	0.888	3	127.3338	1.203	21	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	125.3460	0.829	2	127.3338	1.203	21	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|O<1>,2|C<3>}	128.3990	0.000	1	126.3266	0.867	10	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	126.5345	0.169	2	126.3266	0.867	10	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	125.9074	0.626	5	126.3266	0.867	10	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|H<1>,3|C<3>}	126.7900	0.000	1	126.3266	0.867	10	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	125.4710	0.000	1	126.3266	0.867	10	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	126.9150	0.000	1	126.9150	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CS)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CS){1|O<1>,2|C<3>}	127.0220	0.000	1	127.0220	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]FeC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<7>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]FeC){1|O<1>,2|C<3>}	127.0470	0.000	1	127.0470	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	126.5160	0.000	1	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	126.8360	0.522	2	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	124.3930	0.000	1	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	124.3077	2.701	3	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){3|C<3>}	128.6220	0.000	1	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	126.6973	0.709	3	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){4|C<3>}	125.4988	0.173	4	125.8809	2.709	15	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	126.6365	1.032	2	126.6365	1.064	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	125.7910	0.000	1	125.7910	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	126.8480	0.805	2	126.8480	0.648	2	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Sn<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	125.8450	0.000	1	125.8450	0.000	1	126.7184	1.398	113	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(P[5]C[5]CW)	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5]){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(P[5]C[5]CW){1|H<1>,3|C<3>}	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	123.8360	0.000	1	123.8360	0.000	1	123.8360	0.000	1	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	125.4750	0.000	1	125.4750	0.000	1	123.9483	7.695	7	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	124.8922	0.303	5	124.8922	0.092	5	123.9483	7.695	7	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	117.7020	0.000	1	117.7020	0.000	1	123.9483	7.695	7	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	124.2430	0.000	1	124.2430	0.000	1	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]S[5])(C[5]C[5]2H)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]2H){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	122.8030	0.123	2	122.8030	0.015	2	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]2C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.5247	0.210	3	122.5247	0.044	3	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	122.9830	0.000	1	122.7157	0.223	4	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	122.6267	0.535	3	122.7157	0.223	4	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	122.7520	0.000	1	122.7520	0.000	1	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5]C[6a]S[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	124.4020	0.000	1	124.4020	0.000	1	122.9533	0.491	12	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(C[5]C[3,5]HH)	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(C[5]C[3,5]HH){2|C<3>,2|C<4>}	126.9390	0.000	1	126.9390	0.000	1	126.9390	0.000	1	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){1|H<1>,1|O<2>,3|C<3>}	118.5850	0.000	1	119.0635	0.458	2	119.0635	0.458	2	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-4:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){2|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	N[5](C[5]C[6a]O[5])(N[5]Si[5]CC){2|Br<1>,1|O<2>,2|C<3>}	119.5420	0.000	1	119.0635	0.458	2	119.0635	0.458	2	126.0493	3.856	150	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	122.9630	0.885	2	122.9630	0.784	2	123.5228	1.600	9	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]){5|C<3>}	123.7404	1.624	5	123.7404	2.636	5	123.5228	1.600	9	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5a]C[5])(C[5]C[6a]N[5]){7|C<3>}	123.5385	0.780	2	123.5385	0.608	2	123.5228	1.600	9	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){1|H<1>,5|C<3>}	120.2252	2.485	6	120.2252	6.174	6	120.2252	6.174	6	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	126.0135	0.814	2	126.0135	0.662	2	126.9742	0.589	11	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]C[4,6]C)(C[5]C[6a]O[5]){2|O<2>,4|C<3>}	126.4690	0.000	1	126.4690	0.000	1	126.9742	0.589	11	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[6a]O[5]){1|O<2>,5|C<3>}	126.7030	0.000	1	126.7030	0.000	1	126.9742	0.589	11	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	127.2070	0.000	1	127.3596	0.335	7	126.9742	0.589	11	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[4,5]C[4]2C[5])(C[5]C[6a]O[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	127.3850	0.630	6	127.3596	0.335	7	126.9742	0.589	11	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]){2|C<3>,2|C<4>,3|H<1>}	126.0010	0.624	4	126.0010	0.389	4	126.6631	1.359	8	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]O[5]){1|H<1>,4|C<3>}	126.0120	0.000	1	126.0120	0.000	1	126.6631	1.359	8	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5,6]C[5])(C[5]C[6a]O[5]){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	127.3550	0.000	1	127.3550	0.000	1	126.6631	1.359	8	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]O[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	127.9670	1.513	2	127.9670	2.290	2	126.6631	1.359	8	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	128.5430	0.000	1	128.2818	0.087	5	128.2818	0.087	5	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]O[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	128.2165	0.296	4	128.2818	0.087	5	128.2818	0.087	5	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	126.5432	0.571	5	126.5432	0.326	5	126.5331	2.062	15	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	127.9393	0.568	3	127.9393	0.322	3	126.5331	2.062	15	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]2)(C[5]C[6a]O[5]){1|N<2>,1|O<1>,6|C<3>}	127.6525	0.661	2	127.6525	0.437	2	126.5331	2.062	15	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	125.4430	0.000	1	125.4430	0.000	1	126.5331	2.062	15	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	125.1785	1.781	4	125.1785	3.172	4	126.5331	2.062	15	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,5|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	124.0450	0.943	2	124.0450	0.890	2	124.0450	0.890	2	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	125.2890	0.000	1	125.2890	0.000	1	125.2890	0.000	1	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(S[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	N[5](C[4,5]C[4,5]2H)(C[5]C[6a]S[5]){1|H<1>,1|O<2>,4|C<3>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:S[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5])	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(S[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]S[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5]){1|O<1>,4|C<3>}	123.6737	1.334	3	123.6737	1.779	3	123.6737	1.779	3	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<4>,2|H<1>}	N[5](N[5]Si[5,5]CC)(C[5]C[6a]O[5]){1|N<4>,1|O<2>,2|C<3>,2|F<1>}	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	125.3060	7.226	62	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	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:	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	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5])	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>}	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5]C[6a]C[5]){1|N<2>,1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	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>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){2|C<4>,3|C<3>,5|H<1>}	121.3260	0.000	1	121.3260	0.000	1	123.1920	0.890	8	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:N[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	123.4586	0.613	7	123.4586	0.375	7	123.1920	0.890	8	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:N[5]-2:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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)	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[3,5])(N[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:N[5]-2:N[5]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(N[5]C[5]C){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:2:3:	3:3:3:	4:3:	N[5]-3:N[5]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5,6,6]-4:C[5]-3:	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5])	C[5](N[5]C[5,5,6,6]C)(N[5]C[5,5,6,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5]){9|C<3>}	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	122.7652	1.559	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	2:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	N[6a]-2:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)(C[5]N[5]2){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,3|H<1>}	124.8230	0.000	1	124.8230	0.000	1	124.8230	0.000	1	124.8230	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]O[5]){1|H<1>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:C[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:	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])	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	126.2260	0.109	3	126.2260	0.012	3	126.2260	0.012	3	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	120.6661	1.340	8	120.6860	1.574	9	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	120.8450	0.000	1	120.6860	1.574	9	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]N[5]){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|S<1>}	121.4060	0.327	2	121.4060	0.107	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Cd)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cd<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Cd){1|N<2>,1|N<3>,2|C<3>}	123.5950	0.556	2	123.5950	0.309	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Co){1|N<2>,1|N<3>,2|C<3>}	123.9790	0.572	15	123.9790	0.327	15	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Cu)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Cu<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Cu){1|N<2>,1|N<3>,2|C<3>}	124.2390	0.000	1	124.2390	0.000	1	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe){2|C<3>,2|N<2>}	121.2298	0.289	6	123.7578	0.786	74	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe){1|N<2>,1|N<3>,2|C<3>}	123.9808	0.476	68	123.7578	0.786	74	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<3>,1|N<3>,2|N<2>}	122.8910	0.092	2	122.8910	0.008	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Hg)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Hg<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Hg){1|N<2>,1|N<3>,2|C<3>}	124.9320	0.000	1	124.9320	0.000	1	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Mn)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Mn<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Mn){1|N<2>,1|N<3>,2|C<3>}	124.5625	0.227	2	124.5625	0.052	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Ni)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Ni<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Ni){1|N<2>,1|N<3>,2|C<3>}	123.3890	0.000	1	123.3890	0.000	1	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<5>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn){1|N<2>,1|N<3>,2|C<3>}	123.3020	0.000	1	123.0325	0.145	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Zn<6>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn){1|N<2>,1|N<3>,2|C<3>}	122.7630	0.000	1	123.0325	0.145	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]N)(N[5]N[5]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Co){1|N<2>,1|N<3>,2|C<3>}	122.7530	0.000	1	122.7530	0.000	1	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Co<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Co){1|N<2>,3|C<3>}	123.5410	0.000	1	123.5410	0.000	1	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe){1|N<2>,3|C<3>}	123.1893	1.011	4	123.1893	1.023	4	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	122.1185	0.405	2	122.2050	0.105	3	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,3|C<3>}	122.3780	0.000	1	122.2050	0.105	3	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe){1|N<2>,3|C<3>}	122.2870	0.062	2	122.2870	0.004	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe)	C[5](C[6a]C[6a]N[6a])(N[5]N[5a]C[5])(N[5]N[5]){1|Fe<6>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Fe){1|N<2>,1|N<3>,2|C<3>}	124.9365	1.173	2	124.9365	1.376	2	123.4482	1.520	124	123.5139	1.663	127	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	126.2603	0.303	3	126.2603	0.092	3	123.9070	5.858	7	123.9070	5.858	7	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,3|H<1>}	122.9310	0.000	1	122.7230	0.087	2	123.9070	5.858	7	123.9070	5.858	7	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,3|H<1>}	122.5150	0.000	1	122.7230	0.087	2	123.9070	5.858	7	123.9070	5.858	7	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]N[6a])(N[5]C[6a]C[5])(N[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|N<2>,2|C<3>,2|H<1>}	121.5610	2.110	2	121.5610	4.452	2	123.9070	5.858	7	123.9070	5.858	7	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:2:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-2:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,2|N<2>,4|C<3>}	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-2:	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])	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5])	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>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	119.9242	1.119	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:S[5]-2:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[5,6a]C[6a])(S[5]N[5,6a])	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]N[6a])(N[5]S[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[6a])(S[5]N[5,6a]){1|N<2>,3|C<3>}	120.2260	0.000	1	120.2260	0.000	1	120.2260	0.000	1	119.9242	1.119	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-2:	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])	N[5](C[5]C[6a]C[5])(N[5]C[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	121.4370	0.000	1	121.4370	0.000	1	120.1167	1.402	4	119.9242	1.119	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[5]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-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])	N[5](C[5]C[6a]C[5])(N[5]C[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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	119.6767	0.970	3	119.6767	0.942	3	120.1167	1.402	4	119.9242	1.119	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	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[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])	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){1|C<3>,1|N<2>,2|C<4>}	121.3516	1.125	9	121.3516	1.266	9	120.7434	1.797	14	120.7434	1.797	14	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	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[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])	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){1|C<3>,1|N<2>,2|C<4>}	119.3503	1.235	3	119.3503	1.524	3	120.7434	1.797	14	120.7434	1.797	14	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	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[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])	N[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,1|N<2>,2|C<3>}	120.4030	0.000	1	120.4030	0.000	1	120.7434	1.797	14	120.7434	1.797	14	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:2:	3:3:	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[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])	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|N<2>,2|C<3>}	119.7890	0.000	1	119.7890	0.000	1	120.7434	1.797	14	120.7434	1.797	14	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:	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	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5])	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>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]){1|C<4>,1|N<3>,3|C<3>}	116.8840	0.000	1	116.8840	0.000	1	116.8840	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:	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	N[5](C[5]C[5,6]C[6a])(Se[5]N[5,6])	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>}	N[5](C[5]C[5,6]C[6a])(Se[5]N[5,6]){4|C<3>}	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:O[5]-2:	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	N[5](C[5]C[6a]C[5])(O[5]N[5])	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>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|O<1>,3|C<3>}	120.4900	0.000	1	118.8075	5.662	2	118.8075	5.662	2	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:O[5]-2:	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	N[5](C[5]C[6a]C[5])(O[5]N[5])	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>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|O<1>,3|C<3>}	117.1250	0.000	1	118.8075	5.662	2	118.8075	5.662	2	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-2:	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	N[5](C[5]C[6a]C[5])(C[5]N[5])	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]){2|C<3>,2|H<1>}	122.9160	0.000	1	122.9160	0.000	1	122.9160	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:N[5]-2:	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	N[5](C[5]C[6a]C[5])(N[5]C[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]){1|H<1>,3|C<3>}	121.5885	0.676	4	121.5885	0.457	4	118.0706	5.123	16	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:N[5]-2:	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	N[5](C[5]C[6a]C[5])(N[5]Se[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]Se[5]){1|C<4>,2|C<3>}	116.6676	0.823	10	116.7657	0.716	11	118.0706	5.123	16	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:N[5]-2:	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	N[5](C[5]C[6a]C[5])(N[5]Se[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]Se[5]){3|C<3>}	117.7470	0.000	1	116.7657	0.716	11	118.0706	5.123	16	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:N[5]-2:	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	N[5](C[5]C[6a]C[5])(N[5]Se[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]Se[5]){1|H<1>,2|C<3>}	118.3520	0.000	1	118.3520	0.000	1	118.0706	5.123	16	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:O[5]-2:	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	N[5](C[5]C[6a]C[5])(O[5]C[5])	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>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<1>,3|C<3>}	119.1763	0.839	12	119.1763	0.704	12	119.2652	0.748	13	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:O[5]-2:	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	N[5](C[5]C[6a]C[5])(O[5]N[5])	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>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>}	120.3320	0.000	1	120.3320	0.000	1	119.2652	0.748	13	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5])	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Cd)(N[5]N[5]){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]N[6,6a]O)(C[6a]N[6a]H)(C[5]N[5]2){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]N[5]){2|Cd<6>,2|C<3>}	122.9390	0.000	1	122.9390	0.000	1	122.9390	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]O[5]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	121.2120	0.000	1	121.2120	0.000	1	122.0661	6.368	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]O[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|H<1>,4|C<3>}	121.7325	0.097	2	121.7325	0.009	2	122.0661	6.368	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]O[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|N<3>,4|C<3>}	123.8440	0.000	1	123.8440	0.000	1	122.0661	6.368	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5])	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]){2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){1|Pt<6>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|Pt<6>,1|C<4>,2|C<3>}	117.2260	0.000	1	117.2260	0.000	1	122.0661	6.368	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5])	C[6a](C[6a]C[6a]O)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]){1|C<4>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[5]N[5]2){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|Pt<4>,1|C<4>,2|C<3>}	124.3580	0.389	2	124.3580	0.151	2	122.0661	6.368	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5]){2|C<4>,3|C<3>}	121.9240	0.000	1	121.9240	0.000	1	122.0165	0.017	2	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|O<2>,3|C<3>}	122.1090	0.000	1	122.1090	0.000	1	122.0165	0.017	2	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]N[5,6]C[6a])(O[5]C[5,5,6])	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5](C[5]N[5,6]C[6a])(O[5]C[5,5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	123.7570	0.000	1	123.7570	0.000	1	123.7570	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5,6])	C[5](N[5]C[5,6]C[6a])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5,6]){1|C<4>,4|C<3>}	122.0560	0.000	1	122.0560	0.000	1	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]C)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){2|C<4>,3|C<3>}	119.5410	0.000	1	119.5410	0.000	1	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[5]N[5]2){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|S<1>,3|C<3>}	123.6140	0.000	1	123.6140	0.000	1	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<4>,4|C<3>}	122.5200	0.000	1	121.9248	2.674	4	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<4>,4|C<3>}	120.2330	0.000	1	121.9248	2.674	4	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){2|C<4>,3|C<3>}	122.4730	2.051	2	121.9248	2.674	4	121.8443	2.755	7	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:2:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(S[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]S[5]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|S<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(S[5]C[5]){1|N<2>,3|C<3>}	119.0020	0.000	1	119.0020	0.000	1	119.0020	0.000	1	119.8552	6.182	53	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-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	N[5](C[5]C[5,6]C[6a])(C[5]C[5,5,6]C)	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>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,5,6]C){1|C<4>,4|C<3>}	116.8390	0.000	1	116.8390	0.000	1	116.8390	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|S<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]O){4|C<3>}	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	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	N[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])	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>}	N[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5]){1|H<1>,2|C<4>,4|C<3>}	118.2455	1.053	2	118.2455	1.109	2	118.2455	1.109	2	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|N<3>,5|C<3>}	120.0070	0.130	2	120.0070	0.017	2	121.4253	6.043	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	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>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	124.2620	0.000	1	124.2620	0.000	1	121.4253	6.043	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])(C[5]C[5]H)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]H){1|N<3>,3|C<3>}	121.0905	1.456	2	121.0905	2.120	2	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])(C[5]C[5]H)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]H){1|N<3>,3|C<3>}	120.6470	0.000	1	120.6470	0.000	1	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[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>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){5|C<3>}	123.2290	0.000	1	123.2290	0.000	1	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])(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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|N<3>,3|C<3>}	118.0830	0.000	1	118.0830	0.000	1	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])2	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>}	N[5](C[5]C[6a]C[5])2{1|N<2>,5|C<3>}	117.3630	0.000	1	117.3630	0.000	1	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[5a]N[5])(C[5]C[6a]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>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]C[5]){1|S<2>,4|C<3>}	120.8888	1.129	4	120.8888	1.275	4	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:	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	N[5](C[5]C[6a]C[5])(C[5]C[6]N[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>}	N[5](C[5]C[6a]C[5])(C[5]C[6]N[5]){1|C<4>,4|C<3>}	121.7850	0.979	2	121.7850	0.958	2	120.7190	3.098	12	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:N[5]-3:	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	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[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>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]S[5]){5|C<3>}	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	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:	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])	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|C<4>,1|N<3>,2|C<3>}	121.3520	0.000	1	121.3520	0.000	1	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|C<4>}	120.4460	0.171	2	120.4460	0.029	2	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	121.0030	0.000	1	121.0030	0.000	1	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	122.1010	2.275	2	122.1010	5.178	2	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	123.4720	0.000	1	121.8199	4.124	21	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	121.4108	2.243	15	121.8199	4.124	21	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	122.7166	0.831	5	121.8199	4.124	21	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,3|C<3>}	119.2620	0.000	1	119.2620	0.000	1	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,2|C<3>}	121.4370	0.000	1	120.9737	0.269	3	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,3|C<3>}	120.7420	0.464	2	120.9737	0.269	3	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])2	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>}	N[5](C[5]C[6a]C[5])2{1|H<1>,1|N<3>,4|C<3>}	122.9400	0.000	1	122.9400	0.000	1	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])2	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>}	N[5](C[5]C[6a]C[5])2{1|N<2>,5|C<3>}	123.0600	0.000	1	122.2850	1.201	2	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])2	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>}	N[5](C[5]C[6a]C[5])2{1|H<1>,1|N<3>,4|C<3>}	121.5100	0.000	1	122.2850	1.201	2	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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)	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	116.6270	0.682	2	116.6270	0.465	2	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	117.2280	0.000	1	117.8876	1.198	5	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	118.0525	1.190	4	117.8876	1.198	5	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]Se[5])(C[5]C[6a]C[5]){1|N<3>,4|C<3>}	117.0320	0.000	1	117.0320	0.000	1	120.8353	5.447	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,4|C<3>}	119.3850	1.888	2	119.3850	3.564	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,5|C<3>}	118.7570	0.000	1	118.7570	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	120.7870	0.000	1	120.7870	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	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>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|O<1>,2|C<3>,2|C<4>}	123.0140	0.000	1	123.0140	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Rh)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Rh){1|Rh<6>,3|C<3>}	119.5670	1.179	2	119.5670	1.391	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	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>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	120.7812	1.105	6	120.7812	1.222	6	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ir)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ir){1|C<4>,1|H<1>,2|C<3>}	122.9910	0.000	1	122.9910	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ni)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ni){1|C<4>,1|H<1>,2|C<3>}	120.9610	0.689	2	120.9610	0.474	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Pd)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Pd){1|C<4>,1|H<1>,2|C<3>}	121.4480	0.206	2	121.8484	0.618	5	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Pd)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Pd){1|H<1>,3|C<3>}	122.1153	0.974	3	121.8484	0.618	5	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Re)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Re){1|C<4>,1|H<1>,2|C<3>}	121.8865	0.506	2	121.5237	0.523	3	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Re)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Re){1|H<1>,3|C<3>}	120.7980	0.000	1	121.5237	0.523	3	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Rh)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Rh){1|C<4>,1|H<1>,2|C<3>}	121.8040	0.942	2	121.8040	0.887	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru){1|C<4>,1|H<1>,2|C<3>}	120.9116	0.901	5	120.9834	0.464	10	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru){1|C<4>,1|H<1>,2|C<3>}	121.2123	0.548	3	120.9834	0.464	10	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru){1|H<1>,3|C<3>}	120.8195	0.299	2	120.9834	0.464	10	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Zn)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Zn){1|C<4>,1|H<1>,2|C<3>}	122.0060	0.000	1	122.0060	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Ir)(N[5]N[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|Ir<4>,1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Ir<4>,1|C<4>,4|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Mo)(N[5]N[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|Mo<9>,1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Mo<9>,1|C<4>,4|C<3>}	118.6790	0.000	1	118.6790	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]Ru){1|P<3>,3|C<3>}	118.8340	0.000	1	118.8340	0.000	1	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]W)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]W){1|P<3>,3|C<3>}	117.7170	0.000	1	117.4795	0.113	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[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	N[5](C[5]C[6a]C[5])(N[5]N[5]W)	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>}	N[5](C[5]C[6a]C[5])(N[5]N[5]W){1|P<4>,3|C<3>}	117.2420	0.000	1	117.4795	0.113	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Pd)(N[5]N[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|Pd<4>,1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|Pd<4>,1|C<4>,4|C<3>}	119.8660	0.140	2	119.8660	0.020	2	120.7336	1.955	44	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	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:	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)	N[5](C[5]C[6a]C[5])(C[5]C[5]C)	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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]C){2|C<3>,2|H<1>}	123.9010	0.223	6	123.9010	0.050	6	123.9010	0.050	6	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,2|C<4>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<1>,2|C<3>}	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	123.0154	0.585	7	123.0154	0.342	7	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	126.0390	1.086	2	126.0390	1.180	2	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	122.1860	0.853	2	122.1860	0.727	2	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<6>,1|B<4>,2|C<3>}	123.4900	0.000	1	123.5575	0.009	2	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]B)(N[5]C[5]){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ru<9>,1|B<4>,2|C<3>}	123.6250	0.000	1	123.5575	0.009	2	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Co)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Co<6>,1|B<4>,2|C<3>}	120.5930	0.000	1	120.5930	0.000	1	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Fe)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Fe<6>,1|B<4>,2|C<3>}	120.8230	0.000	1	120.8230	0.000	1	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Co<6>,1|H<1>,1|N<3>,3|C<3>}	124.0770	0.263	3	124.3638	0.189	5	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	124.7640	0.000	1	124.3638	0.189	5	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	124.8240	0.000	1	124.3638	0.189	5	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<6>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){2|Mn<6>,1|N<3>,3|C<3>}	124.8005	0.325	2	124.3355	0.341	4	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|Mn<8>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Mn<6>,1|Mn<8>,1|N<3>,3|C<3>}	123.8705	0.231	2	124.3355	0.341	4	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Mn<6>,1|B<4>,2|C<3>}	121.4260	0.000	1	121.4260	0.000	1	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<5>,1|B<4>,2|C<3>}	121.5560	0.353	3	120.2820	1.551	9	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Ni)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ni<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ni<6>,1|B<4>,2|C<3>}	119.6450	0.986	6	120.2820	1.551	9	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Ru)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Ru<9>,1|B<4>,2|C<3>}	122.1810	0.000	1	122.1810	0.000	1	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<4>,1|B<4>,2|C<3>}	122.9667	1.121	6	122.5045	2.267	11	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<5>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<5>,1|B<4>,2|C<3>}	122.9560	1.729	3	122.5045	2.267	11	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](C[6a]C[6a]2)(N[5]N[5]Zn)(N[5]C[5]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|Zn<6>,1|B<4>,2|C<3>}	120.4410	0.000	2	122.5045	2.267	11	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]O[5]N)	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]O[5]N){1|C<4>,2|C<3>}	121.9700	0.475	2	121.9700	0.226	2	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5])	C[6a](C[6a]C[6a]F)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(N[5]S[5]As)(N[5]C[5]){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(C[5]N[5]2){1|As<6>,1|S<2>,2|C<3>,2|F<1>}	N[5](C[5]C[6a]N[5])(C[5]C[6a]S[5]){1|As<6>,4|C<3>}	118.6450	0.000	1	118.6450	0.000	1	122.4802	3.513	49	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<1>,2|C<3>}	124.0505	2.406	2	124.1383	2.918	3	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,1|S<2>,2|C<3>}	124.3140	0.000	1	124.1383	2.918	3	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	121.6090	0.000	1	122.5095	1.622	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	123.4100	0.000	1	122.5095	1.622	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Ir)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Ir){1|C<4>,3|C<3>}	123.0510	0.000	1	123.0510	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]P)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]){1|P<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]P){1|C<4>,2|C<3>}	122.7650	0.000	1	122.7650	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){1|S<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<3>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Cu<3>,1|S<3>,2|C<3>}	121.6820	0.000	1	121.6820	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Cu<4>,5|C<3>}	120.9447	0.802	4	120.9447	0.642	4	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,1|S<1>,2|C<3>}	126.3360	0.000	1	126.3360	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Co)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|Co<6>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Co){1|H<1>,3|C<3>}	122.9435	0.555	2	122.9435	0.308	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	125.2070	0.000	1	124.9225	0.162	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	124.6380	0.000	1	124.9225	0.162	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,5|C<3>}	121.9555	1.244	4	121.9555	1.547	4	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|Mo<6>,3|C<3>}	123.7400	0.000	1	123.7400	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(N[5]N[5]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Mo<6>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Mo<6>,5|C<3>}	123.0830	0.000	1	123.0830	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Cl<1>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	124.7410	0.717	2	124.7410	0.514	2	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	125.8930	1.621	4	124.7722	4.601	6	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	122.5305	0.226	2	124.7722	4.601	6	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|S<1>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[5]N[5]2){2|N<3>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	123.1450	0.000	1	123.1450	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	123.2485	0.383	2	123.0528	0.533	10	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<2>,1|S<1>,2|C<3>}	122.8244	0.906	5	123.0528	0.533	10	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|N<3>,1|S<1>,2|C<3>}	123.3030	0.651	3	123.0528	0.533	10	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	122.3880	0.000	1	122.9755	0.807	11	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	122.2165	0.466	2	122.9755	0.807	11	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	122.8320	0.263	3	122.9755	0.807	11	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<2>,1|S<1>,2|C<3>}	122.7765	0.575	2	122.9755	0.807	11	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|N<3>,1|S<1>,2|C<3>}	123.9537	1.198	3	122.9755	0.807	11	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Sn)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Sn<4>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Sn){1|N<3>,1|S<1>,2|C<3>}	120.9890	0.000	1	120.9890	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn)	C[5](C[6a]C[6a]2)(N[5]C[5]N)(N[5]N[5]){1|Zn<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Zn){1|N<3>,3|C<3>}	123.9243	1.419	4	123.9243	2.013	4	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Re)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Re){1|C<4>,2|C<3>}	125.2040	0.000	1	125.2040	0.000	1	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Re)	C[5](C[6a]C[6a]2)(N[5]N[5]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Re){1|H<1>,2|C<3>}	126.1050	0.830	5	126.1050	0.690	5	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]N[5]Pd)	C[5](C[6a]C[6a]2)(N[5]N[5]Pd)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5](C[5]C[6a]N[5])(N[5]N[5]Pd){1|Pd<4>,2|C<3>}	122.0022	0.856	6	122.0022	0.733	6	123.3482	2.795	70	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6]C)(N[5]N[5,6]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5,6]C[5,6]B[6])(C[5]C[6a]N[5]){2|C<4>,5|C<3>}	124.9590	0.000	1	124.9590	0.000	1	124.9590	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Cd)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cd<6>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Cd){1|N<2>,1|S<2>,2|C<3>}	125.2200	0.000	1	125.2200	0.000	1	124.9437	0.065	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Cu)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cu<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Cu){1|N<2>,1|S<2>,2|C<3>}	124.8940	0.000	1	124.8940	0.000	1	124.9437	0.065	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Ni)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ni<4>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[6a])(N[5]C[5,5]Ni){1|N<2>,1|S<2>,2|C<3>}	124.7170	0.000	1	124.7170	0.000	1	124.9437	0.065	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5,6]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(N[5]N[5]){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[5]N[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]C[6a])(N[5]C[5,6]S){1|H<1>,4|C<3>}	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:B[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(B[5]C[5]C[6])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]B[5]){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(B[5]C[5]C[6]){2|H<1>,3|C<3>,3|C<4>}	118.2160	0.000	1	118.2160	0.000	1	118.2160	0.000	1	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5])	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|Mg<4>,1|B<4>,2|C<3>,2|H<1>}	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5]){1|Mg<4>,2|O<2>,4|C<3>}	115.7510	0.000	1	115.7510	0.000	1	118.6620	20.875	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5])	C[5](N[5]B[5,5]Mg)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,1|O<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Mg<5>,1|B<5>,1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5]){1|Mg<5>,1|O<2>,1|O<3>,4|C<3>}	116.3070	0.000	1	116.3070	0.000	1	118.6620	20.875	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]C)	C[5](N[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[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(C[5]N[5]C){1|C<4>,3|C<3>}	123.9280	0.000	1	123.9280	0.000	1	118.6620	20.875	3	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]Ir)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ir<6>,1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]Ir){4|C<3>}	123.9418	0.734	6	123.9418	0.539	6	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Cl<1>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	124.2703	1.755	3	124.2703	3.079	3	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|C<4>,3|C<3>}	124.1650	0.000	1	124.1650	0.000	1	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	122.0590	0.935	2	122.4097	0.806	3	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<2>,3|C<3>}	123.1110	0.000	1	122.4097	0.806	3	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|S<1>,3|C<3>}	123.3750	0.000	1	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){3|C<3>}	121.6750	0.000	1	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|H<1>,3|C<3>}	123.5335	0.756	2	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pd<4>,3|C<3>}	122.2860	1.770	5	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<4>,3|C<3>}	124.0210	1.525	2	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Rh<5>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Rh<5>,3|C<3>}	122.0660	0.000	1	122.8046	2.086	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	122.6197	1.551	3	122.2386	1.542	5	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	122.0340	0.000	1	122.2386	1.542	5	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[5]H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|O<2>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[5]H){1|S<1>,3|C<3>}	121.3000	0.000	1	122.2386	1.542	5	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|C<4>,6|C<3>}	124.2170	0.144	2	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Pd<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,5|C<3>}	121.8540	0.000	1	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Re<5>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Re<5>,5|C<3>}	124.0565	1.099	4	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<5>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<5>,5|C<3>}	123.5470	0.000	1	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Ru<6>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Ru<6>,5|C<3>}	118.3640	0.000	1	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|Tc<5>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){1|Tc<5>,5|C<3>}	122.6590	0.000	1	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(N[5]C[6a]C[5]){6|C<3>}	122.6540	0.945	2	123.0327	3.219	12	123.0737	2.212	42	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	122.1877	0.605	4	122.3325	0.770	6	122.2202	0.723	8	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]N[5]){7|C<3>}	122.6220	1.581	2	122.3325	0.770	6	122.2202	0.723	8	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5]){3|C<3>,3|C<4>}	121.8835	0.955	2	121.8835	0.913	2	122.2202	0.723	8	122.1286	4.759	292	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|S<4>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO){4|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.0255	1.769	2	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO){4|C<3>}	120.0850	0.000	1	120.0850	0.000	1	121.0255	1.769	2	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){3|C<3>}	122.1220	0.000	1	121.5430	0.868	3	121.5630	0.581	4	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|O<1>,3|C<3>}	120.4680	0.000	1	121.5430	0.868	3	121.5630	0.581	4	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){3|C<3>}	122.0390	0.000	1	121.5430	0.868	3	121.5630	0.581	4	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){3|C<3>}	121.6230	0.000	1	121.6230	0.000	1	121.5630	0.581	4	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:	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	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	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>}	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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:S[5]-4:	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	N[5](C[5]C[6a]C[5])(S[5]O[5]OO)	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>}	N[5](C[5]C[6a]C[5])(S[5]O[5]OO){3|C<3>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[5]-3:N[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:	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)	N[5](C[5]C[6a]C[5])(S[5]N[5]OO)	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>}	N[5](C[5]C[6a]C[5])(S[5]N[5]OO){3|C<3>}	123.6810	0.000	1	123.6810	0.000	1	123.6810	0.000	1	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	124.9980	0.000	1	124.9980	0.000	1	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	123.6716	0.821	8	123.5920	0.554	10	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	123.2735	0.124	2	123.5920	0.554	10	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,2|C<3>,2|H<1>}	122.5020	0.000	1	122.5020	0.000	1	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<2>,2|C<3>,2|C<4>}	120.5350	0.351	3	120.5350	0.123	3	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>}	124.4567	0.654	3	124.4700	0.504	5	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>}	125.2520	0.000	1	124.4700	0.504	5	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(N[5]C[5]){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,3|C<3>}	123.7280	0.000	1	124.4700	0.504	5	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|S<4>,2|C<3>,2|H<1>}	121.5660	0.000	1	121.5660	0.000	1	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(N[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,2|C<3>,2|H<1>}	121.4280	0.788	2	121.4280	0.620	2	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]N[5]CC){4|C<3>}	123.8620	0.000	1	123.8620	0.000	1	123.1525	2.254	24	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:N[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]O)(N[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(C[5]N[5]2){1|N<3>,2|C<4>,3|O<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	122.9770	0.000	2	122.9770	0.000	2	122.9770	0.000	2	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|S<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	121.3180	0.000	1	121.3180	0.000	1	121.6756	0.782	7	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	121.8288	1.034	5	121.7352	0.908	6	121.6756	0.782	7	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	3:4:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	121.2670	0.000	1	121.7352	0.908	6	121.6756	0.782	7	122.5658	2.355	42	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4: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	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a])	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>}	N[5](C[5]C[5,5]C[6a]O)(C[5]C[5,5]C[6a]){1|C<4>,5|C<3>}	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5,6]){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	120.2465	0.887	4	120.2465	0.787	4	120.2465	0.787	4	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	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	N[5](C[5,5]C[5,6a]N[5,5a]N[5])(C[5]C[6a]C[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>}	N[5](C[5,5]C[5,6a]N[5,5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	121.0700	0.315	2	121.0700	0.099	2	121.0700	0.099	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	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	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5,6]C[6,6a]C[5,6]N[5])(C[5]C[6a]C[5]){2|N<2>,6|C<3>}	122.1795	1.102	8	122.1795	1.214	8	122.1957	1.065	9	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[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	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5,6]C[6]2N[5])(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.3250	0.000	1	122.3250	0.000	1	122.1957	1.065	9	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:C[5]-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	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])	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>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]){7|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.6699	1.111	39	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:C[5]-3:	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	N[5](C[5]C[6a]C[5]N[5])(C[5]C[6a]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>}	N[5](C[5]C[6a]C[5]N[5])(C[5]C[6a]C[5]){2|N<2>,6|C<3>}	121.1830	0.011	2	121.1830	0.000	2	121.6699	1.111	39	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:C[5]-3:	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	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]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>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	123.0450	0.430	2	121.5621	0.845	34	121.6699	1.111	39	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:C[5]-3:	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	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]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>}	N[5](C[5]C[6a]N[5a]N[5])(C[5]C[6a]C[5]){7|C<3>}	121.4695	0.862	32	121.5621	0.845	34	121.6699	1.111	39	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	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]-4:C[5]-3:	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	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]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>}	N[5](C[5]N[5a]C[6]N[5])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	124.2395	0.111	2	124.2395	0.012	2	121.6699	1.111	39	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	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[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	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,6|C<3>}	121.1440	0.000	1	121.1440	0.000	1	123.6097	1.417	7	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	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[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	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]){1|H<1>,6|C<3>}	123.4530	0.000	1	124.2040	0.535	3	123.6097	1.417	7	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	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[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	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]2N[5])(C[5]C[6a]C[5]){1|H<1>,6|C<3>}	124.5795	0.473	2	124.2040	0.535	3	123.6097	1.417	7	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	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[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	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	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>}	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	123.8373	0.264	3	123.8373	0.070	3	123.6097	1.417	7	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]C)(N[5]C[5]){1|P<3>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,5|C<3>}	122.4870	0.717	4	122.4870	0.514	4	122.4870	0.514	4	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5,5]C)(N[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|N<3>,1|O<1>,4|C<3>}	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]){1|C<4>,6|C<3>}	121.4590	0.000	1	121.4590	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	124.2390	0.000	1	124.2390	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){2|H<1>,5|C<3>}	122.6080	0.000	1	122.6080	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]2){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,1|S<4>,5|C<3>}	123.3080	0.000	1	123.3080	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|S<4>,2|H<1>,4|C<3>}	123.0150	0.000	1	123.0150	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(N[5]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){6|C<3>}	122.6180	0.000	1	122.6180	0.000	1	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]O[5]C)(N[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5]){5|C<3>}	123.9385	1.351	2	123.9385	1.826	2	123.1405	1.105	8	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a])	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]){2|C<3>,3|C<4>,3|H<1>}	123.2180	0.000	1	122.5173	0.381	3	122.5173	0.381	3	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a])	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]){2|C<3>,2|H<1>,4|C<4>}	122.1670	0.161	2	122.5173	0.381	3	122.5173	0.381	3	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5,5]-3:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]N[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]C[6a]){1|H<1>,2|C<4>,4|C<3>}	122.5710	0.137	2	122.5710	0.019	2	122.5710	0.019	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]N[5]){3|H<1>,7|C<3>}	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	122.6060	0.000	1	122.5625	0.004	2	122.5625	0.004	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6]C[5]C[6]2)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,5|C<3>}	122.5190	0.000	1	122.5625	0.004	2	122.5625	0.004	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,6|C<3>}	120.7490	0.000	1	120.7490	0.000	1	121.4965	1.118	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:3:2:	3:3:3:	4:3:	N[5]-3:C[6a]-3:N[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[6a]C[6a]H)2(C[5]N[5]2)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,6|C<3>}	122.2440	0.000	1	122.2440	0.000	1	121.4965	1.118	2	122.0697	1.501	85	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<2>,2|C<3>,3|H<1>}	120.6185	0.349	4	120.6185	0.122	4	120.8066	0.268	5	120.8066	0.268	5	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,3|H<1>,4|C<3>}	121.5590	0.000	1	121.5590	0.000	1	120.8066	0.268	5	120.8066	0.268	5	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){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|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	118.1560	0.379	5	118.2980	0.164	8	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(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|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	118.4290	0.000	1	118.2980	0.164	8	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>}	118.5875	0.534	2	118.2980	0.164	8	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(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<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	121.1560	0.000	1	121.1560	0.000	1	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	121.5900	1.472	3	121.0968	2.419	4	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	119.6170	0.000	1	121.0968	2.419	4	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(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<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.8890	0.000	1	120.6280	0.302	5	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.0965	0.179	2	120.6280	0.302	5	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){2|H<1>,4|C<3>}	121.0290	0.472	2	120.6280	0.302	5	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.8430	0.000	1	120.8430	0.000	1	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|Cl<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	117.7460	0.000	1	117.7460	0.000	1	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|C<4>,1|S<2>,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|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.8370	0.000	1	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){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>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.9081	0.606	9	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){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<4>,1|N<2>,1|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	120.2680	0.000	1	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[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<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	121.5360	0.482	2	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(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|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	120.7600	0.000	1	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){1|O<2>,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<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	121.8080	0.000	1	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){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|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	120.5380	0.000	1	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:2:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]O[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){3|C<3>,3|H<1>}	121.1300	1.015	7	121.0159	0.527	23	120.3959	1.793	43	120.3959	1.793	43	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	C[5](C[6a]C[6a]2)(C[5]B[5]HH)(N[5]N[5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|C<3>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){2|H<1>,5|C<3>}	119.7313	0.098	4	119.7313	0.010	4	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	117.8630	0.000	1	117.8630	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2F)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|F<1>,1|O<1>,4|C<3>}	121.6420	0.000	1	121.6420	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|O<1>,2|C<3>,2|C<4>}	119.7610	0.000	1	119.7610	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<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|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|H<1>,2|C<3>,3|C<4>}	118.2515	0.566	2	118.2515	0.321	2	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,3|C<4>,4|C<3>}	119.1495	0.897	2	119.0920	1.178	9	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(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|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	121.1430	0.000	1	119.0920	1.178	9	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(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|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	118.6252	1.067	4	119.0920	1.178	9	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[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<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<2>,2|C<4>,5|C<3>}	118.7560	0.000	1	119.0920	1.178	9	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|H<1>,2|C<4>,5|C<3>}	119.1290	0.000	1	119.0920	1.178	9	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	121.1620	0.000	1	121.1620	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(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|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|S<2>,4|C<3>}	120.6980	0.600	2	120.6980	0.360	2	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	117.6900	0.000	1	118.6505	1.845	2	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.6110	0.000	1	118.6505	1.845	2	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|F<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]F)2{1|C<3>,1|C<4>,1|N<3>,2|F<1>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	120.6054	0.558	5	120.6054	0.312	5	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.7000	0.000	1	121.7000	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	120.6042	1.917	5	120.6042	3.674	5	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	123.3590	0.000	1	123.3590	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]N[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	123.2235	0.819	4	123.2235	0.671	4	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]2){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	121.8540	0.000	1	121.8540	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	120.6400	0.000	1	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	121.4527	0.513	3	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,3|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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	122.8900	0.000	1	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|N<3>,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>,2|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	121.7370	0.024	2	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){1|O<2>,2|H<1>,3|C<3>}	121.1957	0.430	3	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){2|C<3>,4|H<1>}	121.3990	0.000	1	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.1604	0.567	60	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,2|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	120.8680	0.000	1	121.2061	0.338	72	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|O<2>,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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2190	0.000	1	122.4413	0.956	3	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	122.0525	1.002	2	122.4413	0.956	3	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	121.8575	0.077	2	121.4811	0.482	7	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	121.9045	0.347	2	121.4811	0.482	7	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	121.3420	0.584	2	121.4811	0.482	7	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|H<1>,4|C<3>}	120.1600	0.000	1	121.4811	0.482	7	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|C<3>,4|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	121.9560	0.000	1	121.4691	0.278	18	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5a]C[5]){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	121.4405	0.529	17	121.4691	0.278	18	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	122.7410	0.000	1	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(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|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|H<1>,4|C<3>}	121.7982	0.537	4	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	120.7400	0.000	1	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(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|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	121.6570	0.000	1	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|N<2>,3|C<3>,3|H<1>}	120.9843	0.702	3	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	121.5003	0.674	32	121.5070	0.469	42	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,2|O<2>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.5920	0.000	1	119.5920	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2	N[5](C[5]C[6a]C[5])(N[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]H){3|C<3>,3|H<1>}	119.9698	0.142	4	119.9698	0.020	4	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]N[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|P<4>,2|H<1>,5|C<3>}	123.0840	0.000	1	123.0840	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[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>,2|N<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|H<1>,2|C<4>,4|C<3>}	121.0760	0.000	1	121.0760	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HN)(N[5]N[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>,3|H<1>,3|N<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]N[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.1153	1.178	190	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5])	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a,6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]N[6a]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	122.2173	1.267	3	122.2173	1.604	3	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){3|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|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]C){3|C<3>,3|H<1>}	121.1375	0.683	4	121.1375	0.466	4	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|C<4>,1|S<4>,2|H<1>,3|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|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,2|H<1>,3|C<3>}	122.2660	0.000	1	121.3230	1.490	3	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[5]S)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]S){2|C<3>,2|C<4>,2|H<1>}	120.8515	1.283	2	121.3230	1.490	3	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	123.5980	0.000	1	123.5980	0.000	1	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5])	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O)	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[5]C[5]N[5])(C[6a]O[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){3|H<1>,5|C<3>}	119.6470	0.000	1	119.6470	0.000	1	121.5347	1.597	12	121.1318	1.213	203	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5]){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5,5]C[5]3){2|O<1>,3|H<1>,5|C<3>}	121.1390	0.000	1	121.1390	0.000	1	121.1390	0.000	1	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]){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|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	122.1780	0.000	1	122.1780	0.000	1	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]2C){1|C<2>,1|C<4>,1|N<2>,3|C<3>,3|H<1>}	120.6410	0.448	2	120.6410	0.201	2	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	121.5746	0.451	7	121.5746	0.204	7	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	120.5240	0.000	1	121.7002	0.527	5	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	121.9790	0.000	1	121.7002	0.527	5	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|C<3>,4|H<1>}	121.8450	0.000	1	121.7002	0.527	5	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|H<1>}	122.0765	0.586	2	121.7002	0.527	5	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	123.2370	0.000	1	122.2865	1.807	2	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>}	121.3360	0.000	1	122.2865	1.807	2	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]O[5]CO)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){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)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]CO){1|H<1>,1|O<2>,2|C<3>}	124.6333	0.433	3	124.6333	0.188	3	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]O[5]HO)	C[5](C[6a]C[6a]2)(C[5]O[5]HO)(N[5]C[5]){1|O<2>,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>,2|O<2>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]O[5]HO){1|H<1>,1|O<2>,2|C<3>}	124.5610	0.000	1	124.5610	0.000	1	122.1913	1.896	21	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){1|O<2>,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<4>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]CC){1|H<1>,1|O<2>,4|C<3>}	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	3:4:	C[6a]-3:C[5]-4:N[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]C[5]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	122.0623	1.778	24	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5,5]){3|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.7470	0.199	4	121.7470	0.040	4	122.2498	0.634	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.1670	0.000	1	123.1670	0.000	1	122.2498	0.634	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5,5]){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|O<2>,4|H<1>}	N[5](C[5,5]C[5]2O[5])(C[5]C[6a]C[5]){1|N<3>,1|O<2>,3|C<3>,5|H<1>}	123.3440	0.000	1	123.3440	0.000	1	122.2498	0.634	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]2C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	122.1900	0.074	2	122.1900	0.005	2	122.3678	0.682	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){4|C<3>,4|H<1>}	121.4600	0.000	1	121.4600	0.000	1	122.3678	0.682	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]CO)(N[5]C[5]){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>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|O<2>,6|C<3>}	122.7950	0.000	1	122.7950	0.000	1	122.3678	0.682	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:C[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]){1|C<4>,1|S<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|N<3>,4|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	122.7860	1.409	2	122.7860	1.984	2	122.3678	0.682	6	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	3:4:2:	3:3:3:	4:3:	C[6a]-3:P[5]-4:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	B[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5])	C[5](C[6a]C[6a]2)(P[5]C[5]CC)(N[5]B[5]){4|C<3>,4|H<1>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	N[5](B[5]C[6a]2C[5])(C[5]C[6a]P[5]){2|C<4>,2|H<1>,6|C<3>}	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	122.3123	0.552	13	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:2:3:	3:3:3:	4:3:	C[5,6,6]-4:N[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a])	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,6,6]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,6,6]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.8692	0.151	4	122.8692	0.023	4	122.8692	0.023	4	122.0468	1.639	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:2:3:	3:3:3:	4:3:	C[5]-4:N[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5]-3:	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(C[6a]C[6a]2)	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,5,6]Br2)(N[5]C[5,5,6])(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{2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[6a]C[5]){4|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	120.4020	0.105	2	120.4020	0.011	2	120.4020	0.011	2	122.0468	1.639	6	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:2:	3:2:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:O[5]-2:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]N[6a])(N[5]O[5]){1|H<1>,8|C<3>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6]){1|N<2>,5|C<3>}	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	120.3620	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:2:	3:3:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:N[5]-3:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]N[6a])(N[5]N[5]){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C){1|N<2>,2|C<4>,3|C<3>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[3,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[3,5]C[6a])(O[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	N[5](C[5]C[3,5]C[6a])(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[4,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:	C[5](C[4,5]C[4]C[5]N[4])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[4,5]C[6a])(N[5]C[5])	C[5](C[4,5]C[4]C[5]N[4])(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[4,5]C[6a])(N[5]C[5]){1|C<4>,1|N<3>,3|C<3>}	119.7057	0.321	4	119.7057	0.103	4	119.7057	0.103	4	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[4,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[4,5]C[4,5]S[4]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[4,5]C[6a])(O[5]C[4,5])	C[5](C[4,5]C[4,5]S[4]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[5]C[4,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[5](C[5]C[4,5]C[6a])(O[5]C[4,5]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5,6,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6])	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(N[5]O[5]){2|O<2>,8|C<3>}	C[6a](C[5]C[5,5,6,6]N[5])(C[6a]C[6a]O)2{2|Cl<1>,1|C<4>,1|O<2>,3|C<3>}	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6]){6|C<3>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5,6]C[6a])(O[5]C[5,5,6])	C[5](C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(N[5]O[5]){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5]C[5,5,6]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5,6]C[6a])(O[5]C[5,5,6]){2|C<3>,2|C<4>,2|H<1>}	119.7920	0.470	2	119.7920	0.220	2	119.7920	0.220	2	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5]){1|C<2>,4|C<3>}	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]2H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	120.8070	0.000	1	120.8070	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]Cl)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	118.5460	0.000	1	118.5460	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.4820	0.000	1	120.6232	0.648	4	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.1835	0.582	2	120.6232	0.648	4	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	119.6440	0.000	1	120.6232	0.648	4	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]P[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	120.7580	0.000	1	120.7580	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|S<4>,2|H<1>,3|C<3>}	120.7380	0.000	1	120.7380	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,1|S<4>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|S<3>,1|S<4>,4|C<3>}	117.8685	0.554	2	117.4283	0.735	3	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	C[5](C[5,5]C[5,5]S[5]S)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<4>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){2|S<4>,4|C<3>}	116.5480	0.000	1	117.4283	0.735	3	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	119.8865	0.869	2	119.8865	0.755	2	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>}	119.7630	0.000	1	119.7630	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]S[5])	C[5](C[5,5]C[5]2S[5])(C[6a]C[6a]2)(N[5]O[5]){2|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]S[5]){1|C<4>,1|O<1>,3|C<3>}	118.3187	0.602	3	118.3187	0.362	3	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(O[5]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	119.8240	0.000	1	119.8240	0.000	1	119.4413	1.950	18	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	118.4320	0.000	1	119.8590	4.073	2	119.5572	0.940	9	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	121.2860	0.000	1	119.8590	4.073	2	119.5572	0.940	9	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	C[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	119.4710	0.732	7	119.4710	0.536	7	119.5572	0.940	9	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	119.6102	0.766	4	119.4888	0.513	5	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|S<2>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|S<2>,4|C<3>}	119.0030	0.000	1	119.4888	0.513	5	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[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|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	120.8270	0.000	1	120.6755	0.218	6	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[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|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|N<3>,4|C<3>}	120.5910	0.000	1	120.6755	0.218	6	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|S<2>,4|C<3>}	120.4113	0.402	3	120.6755	0.218	6	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,5|C<3>}	121.4010	0.000	1	120.6755	0.218	6	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|C<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|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9640	0.000	1	121.2855	0.504	4	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[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<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	120.6725	0.021	2	121.2855	0.504	4	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<3>,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<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|N<3>,2|H<1>,3|C<3>}	121.8330	0.000	1	121.2855	0.504	4	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	120.3732	1.501	5	120.3732	2.254	5	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[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|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	120.5503	0.744	12	120.4216	1.217	14	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[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|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|H<1>,1|N<3>,4|C<3>}	117.6070	0.000	1	120.4216	1.217	14	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]O[5]){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|H<1>,1|S<2>,4|C<3>}	121.6930	0.000	1	120.4216	1.217	14	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){1|N<2>,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<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|N<2>,2|H<1>,3|C<3>}	121.2000	0.000	1	121.8060	0.734	2	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]O[5]){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|O<2>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	122.4120	0.000	1	121.8060	0.734	2	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:2:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:O[5]-2:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2	N[5](C[5]C[6a]C[5])(O[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]Cl)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	119.7800	0.556	2	119.7800	0.309	2	120.4626	1.159	38	120.0842	1.454	75	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	B[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	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)	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5])	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>}	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5]){1|Mg<4>,2|O<2>,4|C<3>}	118.7800	0.000	1	118.7800	0.000	1	118.7800	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6a]){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]){1|H<1>,2|C<4>,4|C<3>}	120.4790	0.332	2	120.4790	0.110	2	121.0130	0.417	4	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(N[5]C[5,6a]){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.5470	0.000	2	121.5470	0.000	2	121.0130	0.417	4	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]2C[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	N[5](C[5]C[5,5]C[6a])(C[5]C[5]O)	C[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]){1|O<1>,2|H<1>,8|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5]O){6|C<3>}	120.0480	0.000	1	120.0480	0.000	1	120.0480	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	117.5177	1.215	3	117.5177	1.476	3	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){1|H<1>,3|C<4>,4|C<3>}	119.0290	0.000	1	119.0290	0.000	1	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	120.2390	0.000	1	120.2390	0.000	1	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]C[6a]){2|H<1>,6|C<3>}	120.6800	1.037	2	120.6800	1.075	2	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5,5]H){1|H<1>,2|C<4>,3|C<3>}	121.4780	0.000	1	121.4780	0.000	1	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[5]C){2|H<1>,4|C<3>}	120.7560	0.000	1	120.7560	0.000	1	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<3>,2|C<4>,5|C<3>}	121.3070	0.000	1	121.0507	0.957	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,5|C<3>}	120.7573	1.414	3	121.0507	0.957	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	121.4190	0.000	1	121.0507	0.957	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	120.3880	0.000	1	121.0507	0.957	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2N[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,5|C<3>}	121.9690	0.000	1	121.0507	0.957	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]2O[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	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	120.0170	0.000	1	120.0170	0.000	1	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	117.5755	0.411	2	119.5003	2.869	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,7|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	121.0657	0.129	3	119.5003	2.869	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	118.1040	0.000	1	119.5003	2.869	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5])	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	120.0500	0.000	1	119.5003	2.869	7	119.9704	2.591	24	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(C[5]C[5]N)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5]N){5|C<3>}	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6]C[3,6]C[5]C[6])(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	119.4850	0.000	1	119.4850	0.000	1	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]){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<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C[6a]){1|H<1>,2|C<4>,5|C<3>}	121.3470	0.000	1	121.3470	0.000	1	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,4|C<3>}	116.6510	0.000	1	119.5244	3.266	5	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	120.5360	0.000	1	119.5244	3.266	5	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|O<1>,5|C<3>}	118.8220	0.000	1	119.5244	3.266	5	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a])(N[5]C[6a]C[5]){1|O<1>,6|C<3>}	120.8065	0.037	2	119.5244	3.266	5	119.7791	2.655	7	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(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]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,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|C<4>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,5|C<3>}	120.3950	0.000	1	120.3950	0.000	1	121.1676	0.769	5	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){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>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	121.7500	0.000	1	121.7500	0.000	1	121.1676	0.769	5	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.5540	0.000	1	121.5540	0.000	1	121.1676	0.769	5	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|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>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|C<4>,6|C<3>}	120.0770	0.000	1	120.0770	0.000	1	121.1676	0.769	5	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[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)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a]O)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|O<2>,6|C<3>}	122.0620	0.000	1	122.0620	0.000	1	121.1676	0.769	5	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]O)(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>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|O<2>,5|C<3>}	123.5674	0.680	7	123.5674	0.463	7	123.0961	1.275	9	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]N[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	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5a]N[5])(C[6a]C[6a]2)(N[5]C[5]){2|H<1>,7|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|N<3>,5|C<3>}	121.4465	0.653	2	121.4465	0.426	2	123.0961	1.275	9	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|S<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|N<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){1|C<4>,2|H<1>,3|C<3>}	120.1050	0.000	1	121.0855	1.923	2	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5]){1|S<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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5,5]S){2|H<1>,4|C<3>}	122.0660	0.000	1	121.0855	1.923	2	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(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>,4|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	122.1260	0.000	1	122.1260	0.000	1	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(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|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	120.0410	0.000	1	120.0410	0.000	1	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5])	C[5](C[5]C[6a]B[5]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|B<3>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]B[5]){1|H<1>,6|C<3>}	119.7760	0.000	1	119.7760	0.000	1	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]N[5]){3|H<1>,6|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>}	N[5](C[5]C[6a]C[5])(N[5]C[6a]C[5]){2|H<1>,6|C<3>}	121.7307	0.873	3	121.7307	0.761	3	121.1633	1.219	8	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]N[5,5]){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	N[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]){3|H<1>,4|C<3>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|S<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|N<3>,2|H<1>,3|C<4>}	N[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	118.6480	0.000	1	118.6480	0.000	1	121.9945	5.029	4	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,3|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|N<3>,4|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|N<3>,4|C<3>,4|H<1>}	123.1100	0.278	3	123.1100	0.077	3	121.9945	5.029	4	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|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>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	121.0835	1.421	2	121.5448	0.608	6	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|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>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	121.7755	0.358	4	121.5448	0.608	6	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]N[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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](N[5]C[5,5]C[6a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	122.6950	0.000	1	122.6950	0.000	1	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,2|H<1>,6|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>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	121.4587	1.030	3	121.4480	0.437	6	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,2|H<1>,6|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>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,1|N<3>,6|C<3>}	121.3770	0.000	1	121.4480	0.437	6	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]N[5]){2|H<1>,7|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>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	121.4675	0.240	2	121.4480	0.437	6	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]HH)(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|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](N[5]C[5,6]C[6a])(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	121.9250	0.000	1	121.9250	0.000	1	121.6126	0.514	14	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	P[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])	C[5](P[5]C[5,6a]CS)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:3:	Si[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5])	C[5](Si[5,5]C[5]2N[5])(C[6a]C[6a]2)(N[5]C[5]){4|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]Si[5,5]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]Si[5,5]C[6a])(C[5]C[6a]N[5]){2|C<4>,4|C<3>}	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	120.9609	2.741	81	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[3,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]C[6a])(C[5]C[3,5]HH)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[3,5]C[6a])(C[5]C[3,5]HH){1|C<4>,1|H<1>,3|C<3>}	120.7385	0.111	2	120.7385	0.012	2	122.5778	2.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[3,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]C[6a])(C[5]N[3,5]CC)	C[5](C[3,5]N[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[3,5]C[6a])(C[5]N[3,5]CC){1|C<4>,1|H<1>,2|C<3>}	123.4975	0.792	4	123.4975	0.628	4	122.5778	2.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){2|H<1>,4|C<3>}	121.3580	0.000	1	121.3580	0.000	1	121.2198	1.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC){1|H<1>,5|C<3>}	119.8210	0.767	2	119.8210	0.588	2	121.2198	1.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CH){1|H<1>,5|C<3>}	122.0415	0.380	2	122.0415	0.144	2	121.2198	1.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5]H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(C[5]C[6a]C[5]H){2|C<2>,6|C<3>}	122.2360	0.000	1	122.2360	0.000	1	121.2198	1.409	6	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|N<2>,4|C<3>}	120.1960	0.000	1	121.2815	2.357	2	121.2815	2.357	2	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	C[5](C[5,6]C[6,6a]C[5,6]N)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|N<2>,2|C<4>,3|C<3>}	122.3670	0.000	1	121.2815	2.357	2	121.2815	2.357	2	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[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	N[5](C[5]C[6a]C[5])(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|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>}	N[5](C[5]C[6a]C[5])(C[5]C[5]HH){5|C<3>}	120.9600	0.000	1	120.9600	0.000	1	122.3810	2.051	3	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(C[5]O[5]HO)	C[5](C[5]C[6a]O[5]O)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,3|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>,2|H<1>,2|O<2>}	N[5](C[5]C[6a]C[5])(C[5]O[5]HO){1|O<2>,3|C<3>}	123.0915	1.036	2	123.0915	1.073	2	122.3810	2.051	3	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-4:	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(N[5]C[5]NiH)	C[5](C[5]C[6a]C[5]N)(C[6a]C[6a]2)(N[5]N[5]){1|Ni<6>,4|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>,1|N<4>,2|C<3>,2|H<1>}	N[5](C[5]C[6a]C[5])(N[5]C[5]NiH){1|H<1>,1|N<3>,4|C<3>}	120.6410	0.542	2	120.6410	0.293	2	120.6410	0.293	2	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(S[5]O[5]OO)	C[5](C[5]C[5]O[5]H)(C[6a]C[6a]2)(N[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[5](C[5]C[6a]C[5])(S[5]O[5]OO){1|C<4>,1|H<1>,2|C<3>}	120.7510	0.472	2	120.7510	0.223	2	119.5102	2.211	4	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	3:4:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:S[5]-4:	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5])(S[5]N[5]OO)	C[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(N[5]S[5]){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(S[5]N[5]OO){1|H<1>,4|C<3>}	118.2695	0.501	2	118.2695	0.251	2	119.5102	2.211	4	121.3833	2.697	23	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[3,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,6a]2C[3,5])(C[5]C[3,5]C[6a])	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]C[5,5]){3|H<1>,8|C<3>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,6a]2C[3,5])(C[5]C[3,5]C[6a]){1|C<4>,1|N<2>,7|C<3>}	119.6730	0.164	2	119.6730	0.027	2	119.6730	0.027	2	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[3,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a])	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]){3|C<3>,6|H<1>}	C[6a](C[5]C[3,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]C[6a]){1|C<4>,1|H<1>,5|C<3>}	122.1610	0.000	1	122.1610	0.000	1	122.1610	0.000	1	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5,6]C[5]H)(C[6a]C[6a]2)(N[5]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]C[6a]){2|C<4>,2|H<1>,3|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C[6a])	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]N[5])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]C[6a]){1|C<4>,1|H<1>,6|C<3>}	121.1020	0.000	1	121.1020	0.000	1	121.1020	0.000	1	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5])	C[5](C[5]C[4,5]HS)(C[6a]C[6a]2)(N[5]C[4,5]){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<3>,1|S<4>,2|C<4>,3|H<1>}	N[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	121.1635	1.418	2	121.1635	2.010	2	121.1635	2.010	2	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]Cl2)(C[6a]C[6a]2)(N[5]C[5,5]){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{2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]){4|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	121.8540	0.209	2	121.8540	0.044	2	121.9322	0.615	8	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.7930	0.000	1	122.4635	0.899	2	121.9322	0.615	8	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[5]O)(C[5]C[6a]C[5]){2|N<3>,3|C<3>,4|H<1>}	123.1340	0.000	1	122.4635	0.899	2	121.9322	0.615	8	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){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<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5]){2|C<4>,2|N<2>,3|C<3>,3|H<1>}	121.2443	0.108	3	121.2443	0.012	3	121.9322	0.615	8	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]N[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]){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<3>,1|C<4>,1|N<3>,4|H<1>}	N[5](C[5,5]N[5,5]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	123.0900	0.000	1	123.0900	0.000	1	121.9322	0.615	8	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]){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<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]C[5]){1|C<4>,2|H<1>,5|C<3>}	121.2000	0.000	1	121.2000	0.000	1	121.1685	0.072	4	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5]){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<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]C[5]){1|C<4>,1|H<1>,6|C<3>}	121.0940	0.000	1	121.0940	0.000	1	121.1685	0.072	4	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,6|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>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	120.8660	0.000	1	120.8660	0.000	1	121.1685	0.072	4	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	4:3:2:	3:3:3:	4:3:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]C[5]N[5])(C[6a]C[6a]H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<4>,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|C<3>,3|H<1>}	N[5](C[5]C[6a]N[5]H)(C[5]C[6a]C[5]){1|H<1>,1|S<4>,5|C<3>}	121.5140	0.000	1	121.5140	0.000	1	121.1685	0.072	4	121.3944	0.840	20	122.0973	7.980	1988	122.1568	8.131	2023
818	643	960	0:SP2_SP2_SP2	C[5]	C[6a]	N[5]	5:3:2:	3:3:3:	3:3:	B[5,5]-5:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5])	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5])	C[5](B[5,5]N[5]O[5]2Mg)(C[6a]C[6a]2)(N[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]B[5,5]N[5])(C[6a]C[6a]H)2{1|Mg<5>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|O<3>,2|C<3>}	N[5](C[5]B[5,5]C[6a])(C[5]C[6a]N[5]){1|Mg<5>,1|O<2>,1|O<3>,4|C<3>}	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	122.0973	7.980	1988	122.1568	8.131	2023
818	643	974	0:SP2_SP2_SP2	C[5]	C[6a]	As[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:As[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5])	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2)	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5]){2|Si<4>,1|O<2>,1|W<9>,2|C<3>,2|H<1>}	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	As[5](C[5]C[6a]O[5])(C[5]P[5]Si2){1|O<2>,1|W<9>,2|C<3>}	127.5150	0.000	1	127.5150	0.000	1	127.5150	0.000	1	127.5150	0.000	1	127.5150	0.000	1	127.5150	0.000	1
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.7390	0.000	1	122.7390	0.000	1	122.4364	2.704	9	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.7798	0.432	5	122.7798	0.186	5	122.4364	2.704	9	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	124.2560	0.000	1	123.4775	1.212	2	122.4364	2.704	9	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.6990	0.000	1	123.4775	1.212	2	122.4364	2.704	9	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|Ga<4>,1|H<1>,4|C<3>}	118.3350	0.000	1	118.3350	0.000	1	122.4364	2.704	9	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5]){1|B<4>,4|C<3>}	126.8450	0.000	1	126.8450	0.000	1	126.8450	0.000	1	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,5|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	124.0720	0.000	1	122.5643	1.111	4	122.5643	1.111	4	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	121.6640	0.000	1	122.5643	1.111	4	122.5643	1.111	4	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5a,6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,5|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	122.2605	0.255	2	122.5643	1.111	4	122.5643	1.111	4	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[5,6]N[5,6]O[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	122.7261	3.110	15	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[6a]C[5]O){1|C<4>,5|C<3>}	119.9360	0.000	1	119.9360	0.000	1	120.0272	0.180	5	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|C<4>,3|C<3>}	120.4505	0.240	2	120.4505	0.057	2	120.0272	0.180	5	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC){1|H<1>,1|N<3>,3|C<3>}	119.7230	0.000	1	119.7230	0.000	1	120.0272	0.180	5	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|H<1>,3|C<3>}	119.5760	0.000	1	119.5760	0.000	1	120.0272	0.180	5	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	118.5050	0.382	2	118.6347	0.123	3	118.6347	0.123	3	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)	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>}	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	118.8940	0.000	1	118.6347	0.123	3	118.6347	0.123	3	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:N[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[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[5]HH){1|B<4>,2|C<3>,2|C<4>}	121.0665	0.101	2	121.0665	0.010	2	121.0665	0.010	2	119.8173	0.946	10	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5,6]	C[6,6a]	O[5]	3:3:2:	3:3:3:	3:6:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:In[3x5]-6:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5])	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O[5](C[5,6]C[6,6a]N[5,6])(In[3x5]O[5]5)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]O[5])(O[5]In[3x5]){1|H<1>,4|C<3>,4|O<2>}	C[6,6a](C[5,6]N[5,6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|In<6>,1|O<2>,2|C<3>,3|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(In[3x5]O[5]5){2|N<3>,5|C<3>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	121.6210	4.201	26	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	2:3:2:	3:3:3:	4:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5,5]-4:C[5]-3:	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[6a]N[5])	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[6a]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	2:3:2:	3:3:3:	5:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5]){1|C<4>,1|N<2>,4|C<3>}	117.7360	0.889	3	118.2575	1.162	6	118.2575	1.162	6	118.2575	1.162	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	2:3:2:	3:3:3:	5:3:	O[5]-2:C[6a]-3:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5,6]-5:C[5]-3:	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5])	C[5](O[5]Si[5,5,6])(C[6a]C[6a]2)(N[5]N[5,6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	O[5](Si[5,5,6]N[5,6]2O[5]C)(C[5]C[6a]N[5]){1|C<4>,1|N<2>,4|C<3>}	118.7790	1.139	3	118.2575	1.162	6	118.2575	1.162	6	118.2575	1.162	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	2:3:3:	3:3:3:	6:3:	O[5]-2:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Nb[3,5,5]-6:C[5]-3:	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	O[5](Nb[3,5,5]C[3,5]C[5]N[3]N[5]N)(C[5]C[6a]C[5])	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>}	O[5](Nb[3,5,5]C[3,5]C[5]N[3]N[5]N)(C[5]C[6a]C[5]){2|C<4>,2|H<1>,6|C<3>}	114.7360	1.328	2	114.7360	1.763	2	114.7360	1.763	2	114.7360	1.763	2	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	118.9497	1.606	3	118.8027	1.313	6	118.8027	1.313	6	118.8027	1.313	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Pt<6>,1|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	118.6557	0.799	3	118.8027	1.313	6	118.8027	1.313	6	118.8027	1.313	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	116.2353	1.687	4	116.0274	2.212	14	116.1203	2.183	15	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>}	115.1105	0.049	2	116.0274	2.212	14	116.1203	2.183	15	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	115.7000	1.400	6	116.0274	2.212	14	116.1203	2.183	15	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	117.5105	1.875	2	116.0274	2.212	14	116.1203	2.183	15	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5]C[6a]N[5])(C[5]N[5]CC){1|N<2>,2|C<3>}	117.4220	0.000	1	117.4220	0.000	1	116.1203	2.183	15	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:N[6a]-2:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a])	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]N[5]O[5])(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	116.1052	2.042	16	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5])(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,3|H<1>}	116.1995	2.275	2	116.1995	5.175	2	116.1995	5.175	2	115.9257	2.404	4	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<2>,4|C<3>}	114.7200	0.000	1	114.7200	0.000	1	115.6520	1.737	2	115.9257	2.404	4	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:2:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a])	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){1|N<2>,4|C<3>}	116.5840	0.000	1	116.5840	0.000	1	115.6520	1.737	2	115.9257	2.404	4	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:2:	C[6a]-3:O[5]-2:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-2:	C[5](C[6a]C[6a]2)(O[5]P[5])(P[5]C[5])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]C)2	O[5](C[5]C[6a]P[5])(P[5]C[5])	C[5](C[6a]C[6a]2)(O[5]P[5])(P[5]C[5]){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5]O[5]P[5])(C[6a]C[6a]C)2{1|P<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]P[5])(P[5]C[5]){1|O<2>,2|C<3>}	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	114.6590	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:C[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5])(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5])(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|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){4|C<3>}	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5]){1|B<4>,4|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O){2|C<3>,2|C<4>}	116.0749	0.543	7	116.0749	0.295	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){1|C<4>,3|C<3>}	115.0950	0.000	1	115.1311	0.403	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	115.1372	0.695	6	115.1311	0.403	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O){2|C<3>,2|C<4>}	114.6637	0.254	4	114.6637	0.065	4	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	116.9550	0.000	1	116.9550	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]C){2|C<3>,2|C<4>}	114.0500	0.000	1	114.0500	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){4|C<3>}	117.1150	0.000	1	117.1150	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>}	O[5](C[5]C[6a]N[5])(C[5]C[5]C){2|C<3>,2|H<1>}	114.8130	0.000	1	114.8130	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,1|S<2>,2|C<3>}	115.9680	0.000	1	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	115.2690	0.000	1	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,3|C<3>}	115.7073	0.588	4	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<7>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Fe<7>,1|C<4>,2|C<3>}	116.5230	0.000	1	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){2|C<3>,2|C<4>}	115.3949	0.755	18	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	116.9446	0.465	16	116.0686	0.895	41	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Pd<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	114.9740	0.000	1	114.9740	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|C<4>,2|C<3>}	120.1290	0.000	1	120.1290	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	119.2440	0.000	1	119.2440	0.000	1	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Ir<6>,1|N<3>,3|C<3>}	121.3515	4.024	2	120.2990	11.420	3	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|N<3>,3|C<3>}	118.1940	0.000	1	120.2990	11.420	3	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]N){1|Ir<6>,2|C<3>}	118.5320	0.588	2	118.2437	0.422	3	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]N){1|Ru<9>,2|C<3>}	117.6670	0.000	1	118.2437	0.422	3	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Pt<4>,2|C<3>}	118.9960	0.750	2	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<5>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Pt<5>,2|C<3>}	119.9990	0.000	1	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	118.8410	0.000	1	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	118.8980	0.000	1	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	119.9200	0.000	1	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|O<2>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	117.0480	0.000	1	118.9569	1.040	7	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	119.0440	1.156	7	119.1401	1.226	9	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|Pt<4>,4|C<3>}	118.6110	0.000	1	119.1401	1.226	9	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|H<1>,4|C<3>}	120.3420	0.000	1	119.1401	1.226	9	116.7474	3.447	88	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	115.6330	0.337	3	115.6330	0.114	3	115.6330	0.114	3	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2)	O[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2){2|H<1>,3|C<3>}	O[5](C[5]C[6a]O[5])(C[5]C[5]C){1|C<4>,2|C<3>}	124.0800	0.171	2	124.0800	0.029	2	124.0800	0.029	2	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]){1|H<1>,4|C<3>}	114.4020	0.239	2	114.4020	0.057	2	114.5407	0.086	3	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[5]-2:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]O[5]P[5])(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5]){5|C<3>}	114.8180	0.000	1	114.8180	0.000	1	114.5407	0.086	3	116.8415	4.532	98	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:As[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:P[5]-4:	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5])	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]As[5]C[6a])(P[5]C[5]OW)	C[5](C[6a]C[6a]2)(As[5]C[5])(O[5]P[5]){2|Si<4>,1|O<2>,1|W<9>,2|C<3>,2|H<1>}	C[6a](C[5]As[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O[5](C[5]As[5]C[6a])(P[5]C[5]OW){2|Si<4>,2|C<3>}	113.9300	0.000	1	113.9300	0.000	1	113.9300	0.000	1	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	117.3180	0.000	1	117.3180	0.000	1	117.8967	1.441	3	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	119.2770	0.000	1	118.1860	2.381	2	117.8967	1.441	3	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|Se<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]Se[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	117.0950	0.000	1	118.1860	2.381	2	117.8967	1.441	3	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){2|C<3>,2|C<4>}	115.6420	0.000	1	116.1005	0.166	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){1|C<4>,3|C<3>}	116.2533	0.330	3	116.1005	0.166	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.2323	0.190	3	115.2323	0.036	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	117.2390	0.000	1	117.2390	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	115.4815	0.285	2	115.4815	0.081	2	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	114.3340	0.653	2	114.7673	0.777	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	115.6340	0.000	1	114.7673	0.777	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	116.6000	0.000	1	116.6000	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Co<5>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	114.9985	1.947	2	114.9985	3.790	2	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<6>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	115.3100	0.000	1	115.3100	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	114.6100	1.726	3	114.6100	2.979	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	115.4295	0.572	4	115.4295	0.327	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	115.9510	0.000	1	115.9510	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.5840	0.000	1	115.3291	0.246	34	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.4049	0.318	10	115.3291	0.246	34	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	115.5030	0.000	1	115.3291	0.246	34	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	115.1931	0.394	17	115.3291	0.246	34	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	115.5546	1.000	5	115.3291	0.246	34	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	113.6450	0.000	1	116.3990	5.948	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	118.2860	0.000	1	116.3990	5.948	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	117.2660	0.000	1	116.3990	5.948	3	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.4000	1.659	2	115.4000	2.752	2	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	116.9420	0.000	1	116.9420	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	116.7500	0.000	1	115.8764	0.373	8	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,2|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	115.3910	0.000	1	115.8764	0.373	8	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	115.8117	0.564	6	115.8764	0.373	8	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>}	116.2460	0.000	1	115.5985	0.495	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	115.7290	0.000	1	115.5985	0.495	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	115.2095	0.863	2	115.5985	0.495	4	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	114.7935	0.046	2	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.6318	0.463	5	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,3|C<3>}	116.4150	0.000	1	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	115.9163	0.263	3	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|I<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	115.9620	0.998	2	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	115.9010	0.000	1	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	117.4590	0.000	1	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	117.5940	1.725	3	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	115.7052	0.741	5	116.0218	1.096	23	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	115.7900	0.000	1	116.0380	0.399	5	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	116.0610	1.063	2	116.0380	0.399	5	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	116.1390	0.618	2	116.0380	0.399	5	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Sn<4>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	114.0820	0.000	1	114.0820	0.000	1	115.6256	0.866	106	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]O[6])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,5|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|H<1>,3|C<3>}	118.2285	1.405	2	118.2285	1.974	2	118.2285	1.974	2	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	115.7660	0.000	1	115.7660	0.000	1	117.7976	11.977	7	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	116.6476	0.378	5	116.6476	0.143	5	117.7976	11.977	7	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Se<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se){1|H<1>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,2|C<4>}	125.5790	0.000	1	125.5790	0.000	1	117.7976	11.977	7	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:In[5]-4:	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(In[5]N[5]SS)	C[5](C[6a]C[6a]2)(O[5]In[5])(N[5]N[5]){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|In<4>,1|N<2>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(In[5]N[5]SS){3|C<3>}	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:4:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(C[5]O[5]2)	O[5](C[5]C[6a]O[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]O[5]2){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]O[5])(C[5]C[5]HH){2|C<3>,2|H<1>}	121.8718	0.249	4	121.8718	0.062	4	121.8718	0.062	4	116.0632	3.018	125	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:5:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-5:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF)	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]O[5]){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]N[5])(Si[5]O[5]CCF){2|C<3>}	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	118.2850	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:6:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Ge[3x5]-6:	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(Ge[3x5]O[5]5)	C[5](C[6a]C[6a]2)(O[5]Ge[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ge<6>,1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]N[5])(Ge[3x5]O[5]5){2|N<2>,4|C<3>}	117.7893	0.430	3	117.7893	0.185	3	117.7893	0.185	3	118.5387	0.619	12	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	3:6:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[3x5]-6:	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5)	C[5](C[6a]C[6a]2)(O[5]Si[3x5])(N[5]O[5]){2|C<3>,2|H<1>,4|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|O<2>,2|H<1>}	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5){2|N<2>,4|C<3>}	118.7884	0.724	9	118.7884	0.524	9	118.7884	0.524	9	118.5387	0.619	12	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[5,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	121.3710	3.376	5	121.3710	11.397	5	121.3710	11.397	5	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	115.4820	0.833	3	115.4820	0.694	3	115.3275	0.558	4	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[4,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[4,5]C[4,5]O[4]O)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[4,5]C[4,5]O[4]O)(C[5]C[6a]N[5]){2|C<3>,2|C<4>}	114.8640	0.000	1	114.8640	0.000	1	115.3275	0.558	4	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){2|C<3>,2|H<1>,3|C<4>}	115.3372	0.736	4	115.3372	0.541	4	115.3270	0.406	5	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5,5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5]){1|H<1>,1|O<2>,4|C<3>}	115.2860	0.000	1	115.2860	0.000	1	115.3270	0.406	5	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	116.3430	0.000	1	116.3430	0.000	1	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]2C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]2C[5])(C[5]C[6a]N[5]){2|H<1>,6|C<3>}	115.7395	0.204	4	115.7395	0.042	4	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	115.4060	0.000	1	115.3550	0.005	2	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	115.3040	0.000	1	115.3550	0.005	2	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|N<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	115.7250	0.057	3	115.7250	0.003	3	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	115.8870	0.000	1	115.8870	0.000	1	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H)	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	117.4430	0.000	1	117.4430	0.000	1	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	116.8120	0.000	1	116.8120	0.000	1	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	118.2790	0.000	1	117.7485	0.563	2	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>}	O[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5]){5|C<3>}	117.2180	0.000	1	117.7485	0.563	2	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	114.7325	0.835	2	114.7325	0.697	2	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]P[5])(O[5]C[5]){1|C<4>,1|W<6>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	O[5](C[5]C[6a]P[5]H)(C[5]C[6a]N[5]){1|C<4>,1|W<6>,4|C<3>}	112.7350	0.000	1	112.7350	0.000	1	115.8347	1.476	18	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6])	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[3,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){4|C<3>,4|H<1>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]C[5,5])(N[5]N[5]){2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]){7|C<3>}	117.8300	0.146	2	117.8300	0.021	2	117.8300	0.021	2	116.6018	6.211	36	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	5:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-5:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<3>,2|H<1>}	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]N[5]){1|H<1>,3|C<4>,5|C<3>}	116.7040	0.000	1	116.7040	0.000	1	116.7040	0.000	1	117.3222	0.356	5	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	5:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5]-5:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5]C[6a]N[5]HO)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	O[5](Si[5]C[6a]N[5]HO)(C[5]C[6a]N[5]){2|C<4>,4|C<3>}	117.7470	0.000	1	117.7470	0.000	1	117.4200	0.214	2	117.3222	0.356	5	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	5:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5]-5:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5]N[5]Br2O)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]Si[5])(N[5]N[5]){2|Br<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<5>,1|C<3>,1|N<4>,2|H<1>}	O[5](Si[5]N[5]Br2O)(C[5]C[6a]N[5]){2|C<3>,2|C<4>}	117.0930	0.000	1	117.0930	0.000	1	117.4200	0.214	2	117.3222	0.356	5	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	5:3:	C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:	Si[5,5]-5:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])2	C[6a](C[6a]C[6a]C)2(C[5]O[5]2)	O[5](Si[5,5]Si[5,5]O[5]CO)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])2{2|C<3>,4|C<4>,4|O<2>}	C[6a](C[6a]C[6a]C)2(C[5]O[5]2){2|Si<5>,1|C<3>,2|H<1>}	O[5](Si[5,5]Si[5,5]O[5]CO)(C[5]C[6a]O[5]){1|C<4>,2|O<2>,3|C<3>}	117.5335	0.849	2	117.5335	0.721	2	117.5335	0.721	2	117.3222	0.356	5	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:2:	3:3:3:	6:3:	C[6a]-3:O[5]-2:N[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-6:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<4>,2|H<1>}	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,4|C<4>}	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	117.2440	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	3:4:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	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	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	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>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	114.2460	0.000	1	114.7295	0.468	2	114.7295	0.468	2	114.7295	0.468	2	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	3:4:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5,5]-4:	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	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3)	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>}	O[5](C[5]C[6a]C[5])(C[5,5]C[5]3){1|H<1>,1|O<2>,2|C<4>,2|O<1>,3|C<3>}	115.2130	0.000	1	114.7295	0.468	2	114.7295	0.468	2	114.7295	0.468	2	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	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[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	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]C[5])	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>}	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.6760	0.000	1	112.6760	0.000	1	112.6760	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	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[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	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]C[5])	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>}	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]C[5]){9|C<3>}	113.4420	0.000	1	113.4420	0.000	1	113.4420	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-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	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])	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>}	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	111.8960	0.000	1	111.8960	0.000	1	111.8960	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:O[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-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	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){4|H<1>,5|C<3>}	112.0770	0.000	1	112.0770	0.000	1	112.0770	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:O[5]-2:C[5]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-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)	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])	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>}	O[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5]){4|H<1>,5|C<3>}	111.8560	0.000	1	111.8560	0.000	1	111.8560	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	4:3:	C[6a]-3:O[5]-2:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[5,5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5]){1|H<1>,2|C<3>,4|C<4>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	113.3453	5.846	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	5:3:	N[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[3x3,4x5,12x6]-5:C[5]-3:	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6])(C[5]C[6a]N[5])	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){1|C<5>,2|C<3>,2|H<1>,4|B<6>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|B<5>,1|B<6>,1|C<3>,3|H<1>}	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]C[3x3,3x5,13x6])(C[5]C[6a]N[5]){1|B<5>,1|C<4>,1|C<5>,2|C<3>,3|B<6>,4|H<1>}	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	118.2580	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Si[4,4,5]-6:C[5]-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	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5])	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>}	O[5](Si[4,4,5]N[4]4O[5])(C[5]C[6a]C[5]){4|C<4>,5|C<3>}	114.8230	0.827	2	114.8230	0.684	2	114.8230	0.684	2	116.9615	3.008	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	6:3:	C[6a]-3:O[5]-2:N[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-6:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(N[5]N[5]H){2|Br<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|C<3>,1|N<3>,3|H<1>}	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,5|C<3>}	117.8310	0.000	1	117.8310	0.000	1	117.8310	0.000	1	116.9615	3.008	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:2:3:	3:3:3:	6:3:	N[5]-3:O[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	B[3x3,4x5,12x6]-6:C[5]-3:	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5])	C[5](N[5]B[5x3,4x5,11x6]H)(O[5]B[3x3,4x5,12x6])(C[6a]C[6a]2){2|B<5>,2|C<3>,3|B<6>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|B<6>,3|H<1>}	O[5](B[3x3,4x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[5]C[6a]N[5]){2|C<3>,2|C<5>,3|B<6>,4|H<1>}	118.0973	0.541	3	118.0973	0.293	3	118.0973	0.293	3	116.9615	3.008	6	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|Pt<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,1|N<2>,3|C<3>}	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	116.7290	0.000	1	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:2:	3:4:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5]-3:P[5]-4:	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])	O[5](C[5]C[5,6]C[6a])(P[5]N[5,6]CW)	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>}	O[5](C[5]C[5,6]C[6a])(P[5]N[5,6]CW){1|N<2>,3|C<3>}	115.4290	0.018	2	115.4290	0.000	2	115.4290	0.000	2	115.4290	0.000	2	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5,5a]-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](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]){1|H<1>,5|C<3>}	116.5280	0.000	1	116.5280	0.000	1	116.5280	0.000	1	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	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	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])	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>}	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	117.0110	0.738	2	117.0110	0.545	2	117.0473	0.276	3	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	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	O[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])	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>}	O[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	117.1200	0.000	1	117.1200	0.000	1	117.0473	0.276	3	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-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	O[5](C[5]C[6a]C[5])(C[5]C[3,5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[3,5]O){2|C<4>,3|C<3>}	114.4040	0.000	1	114.4040	0.000	1	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-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	O[5](C[5]C[6a]C[5])(C[5]C[5,5]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>}	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|C<4>,4|C<3>}	115.3570	0.000	1	115.3570	0.000	1	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-3:	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	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	114.7600	0.000	1	114.7600	0.000	1	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-3:	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	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|Se<2>,1|C<4>,3|C<3>}	115.3810	0.000	1	115.3810	0.000	1	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-3:	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	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N){1|N<3>,2|C<3>,2|C<4>}	113.3740	1.301	2	113.3732	0.590	4	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5]-3:	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	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N){2|C<3>,3|C<4>}	113.3725	0.278	2	113.3732	0.590	4	114.1744	1.084	8	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-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	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5])	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>}	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]){1|O<1>,1|O<2>,5|C<3>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|N<2>,3|C<3>}	112.8080	0.000	1	115.2162	1.932	5	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|C<2>,1|P<4>,2|C<3>}	115.8173	0.489	3	115.2162	1.932	5	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|P<4>,3|C<3>}	115.8210	0.000	1	115.2162	1.932	5	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]N)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,4|C<3>}	115.3360	0.000	1	115.3360	0.000	1	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	115.4695	0.500	2	115.6498	0.199	5	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|H<1>,3|C<3>}	115.7700	0.468	3	115.6498	0.199	5	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	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>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Cu<5>,1|H<1>,4|C<3>}	119.0980	0.000	1	118.1623	0.530	4	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	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>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Zn<4>,1|H<1>,4|C<3>}	118.0855	0.299	2	118.1623	0.530	4	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	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>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	117.3800	0.000	1	118.1623	0.530	4	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<4>,1|C<4>,4|C<3>}	116.1380	0.000	1	115.8015	0.226	2	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(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|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<6>,5|C<3>}	115.4650	0.000	1	115.8015	0.226	2	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]S[5]C)	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>}	O[5](C[5]C[6a]C[5])(C[5]S[5]C){1|C<4>,2|C<3>}	112.1330	0.000	1	112.1330	0.000	1	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]S[5]N)	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>}	O[5](C[5]C[6a]C[5])(C[5]S[5]N){1|C<4>,2|C<3>}	113.1990	0.000	1	113.3135	0.026	2	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[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	O[5](C[5]C[6a]C[5])(C[5]S[5]N)	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>}	O[5](C[5]C[6a]C[5])(C[5]S[5]N){3|C<3>}	113.4280	0.000	1	113.3135	0.026	2	115.6339	3.157	20	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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:N[5]-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	O[5](C[5]C[6a]C[5])(N[5]C[5]C)	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>}	O[5](C[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,4|C<3>}	112.4160	0.000	1	112.4160	0.000	1	115.6900	2.303	12	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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:N[5]-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	O[5](C[5]C[6a]C[5])(N[5]C[5]S)	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>}	O[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,1|H<1>,3|C<3>}	113.2470	0.000	1	113.2470	0.000	1	115.6900	2.303	12	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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:N[5]-3:	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	O[5](C[5]C[6a]C[5])(N[5]C[5]Ir)	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>}	O[5](C[5]C[6a]C[5])(N[5]C[5]Ir){1|H<1>,3|C<3>}	117.3095	0.248	2	117.3095	0.062	2	115.6900	2.303	12	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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:N[5]-3:	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	O[5](C[5]C[6a]C[5])(N[5]C[5]Pd)	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>}	O[5](C[5]C[6a]C[5])(N[5]C[5]Pd){1|H<1>,3|C<3>}	115.9997	0.606	8	115.9997	0.367	8	115.6900	2.303	12	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<4>,1|C<4>,4|C<3>}	118.6120	0.000	1	118.6120	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Cu<5>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Cu<5>,1|H<1>,4|C<3>}	117.3790	0.000	1	117.3790	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pd<4>,3|C<3>}	125.1410	0.000	1	125.1410	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Pd<4>,1|H<1>,2|C<3>}	127.6820	0.344	3	127.7232	0.160	5	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|O<2>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Pd<4>,1|H<1>,2|C<3>}	127.7850	0.624	2	127.7232	0.160	5	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<3>}	125.5800	0.000	1	125.2955	0.162	2	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pt<4>,3|C<3>}	125.0110	0.000	1	125.2955	0.162	2	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Pt<4>,1|H<1>,2|C<3>}	127.8010	0.000	1	127.8010	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Zn<4>,1|H<1>,4|C<3>}	119.1720	0.341	2	119.1720	0.116	2	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Cu<4>,2|C<3>}	119.7370	0.000	1	119.7370	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|C<3>,2|N<2>,3|H<1>}	O[5](C[5]C[6a]N[5])2{1|H<1>,4|C<3>}	119.7130	0.000	1	118.7064	1.360	7	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{2|H<1>,4|C<3>}	117.9897	0.716	3	118.7064	1.360	7	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	O[5](C[5]C[6a]N[5])2{2|H<1>,4|C<3>}	119.0877	1.439	3	118.7064	1.360	7	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	120.1528	0.988	5	120.1528	0.976	5	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	128.9800	0.269	2	128.9800	0.072	2	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5]){1|Mn<6>,1|H<1>,1|N<2>,1|O<3>,2|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<6>,1|N<3>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]N[5]N){2|Mn<6>,2|C<3>}	117.9367	0.476	6	117.9367	0.227	6	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pt<4>,1|N<2>,2|C<3>,2|H<1>}	O[5](C[5]C[6a]N[5])2{1|Pt<4>,4|C<3>}	119.2620	0.000	1	119.2620	0.000	1	121.5078	17.225	35	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:N[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	114.9825	0.555	4	114.9825	0.308	4	114.9825	0.308	4	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	118.5042	0.315	4	118.5042	0.099	4	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Be<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Be<4>,1|H<1>,4|C<3>}	120.6020	0.137	2	120.6020	0.019	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|C<4>,4|C<3>}	116.6690	0.000	1	116.6690	0.000	1	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Br<1>,1|Cu<4>,1|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|H<1>,4|C<3>}	116.7300	0.000	1	116.4250	0.186	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Cu<4>,2|Br<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|H<1>,4|C<3>}	116.1200	0.000	1	116.4250	0.186	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	116.2600	0.000	1	117.3887	2.232	3	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<8>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	117.9530	1.598	2	117.3887	2.232	3	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]2){2|H<1>,5|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	127.2800	0.286	2	127.2800	0.082	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<4>,1|H<1>,4|C<3>}	124.7640	0.874	2	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<5>,1|H<1>,4|C<3>}	125.0970	0.478	2	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	124.9888	0.901	5	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|F<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<7>,1|H<1>,4|C<3>}	127.3505	0.623	2	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	125.0831	1.965	11	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<7>,1|H<1>,4|C<3>}	126.6302	1.931	4	125.4539	2.838	26	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<6>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ni<6>,1|C<4>,4|C<3>}	116.9255	0.059	2	116.9255	0.003	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|H<1>,1|N<3>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Os<6>,1|H<1>,4|C<3>}	116.7360	1.301	2	117.4936	0.675	7	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Os<6>,1|H<1>,4|C<3>}	117.7966	0.433	5	117.4936	0.675	7	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	116.6550	0.000	1	116.6550	0.000	1	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	117.7470	0.492	2	117.7470	0.242	2	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<6>,2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|H<1>,4|C<3>}	116.0520	0.000	1	116.0520	0.000	1	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[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](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|N<3>,4|C<3>}	124.4140	0.000	1	124.4140	0.000	1	121.8924	17.969	54	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<6>,5|C<3>}	118.1470	0.000	1	118.3585	0.089	2	118.3585	0.089	2	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,5|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	118.5700	0.000	1	118.3585	0.089	2	118.3585	0.089	2	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,2|C<3>,4|C<4>}	115.2820	0.000	1	115.2820	0.000	1	115.1172	0.202	6	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	114.9733	0.495	4	114.9733	0.245	4	115.1172	0.202	6	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:3:	N[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-3:	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]){1|Pt<4>,1|O<2>,2|C<3>,4|C<4>}	115.5280	0.000	1	115.5280	0.000	1	115.1172	0.202	6	119.2908	21.091	146	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	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	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	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>}	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){4|C<3>}	115.0010	0.000	1	115.0010	0.000	1	115.0010	0.000	1	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-3:C[5]-4:	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	O[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)	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>}	O[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH){1|C<4>,1|H<1>,3|C<3>}	115.3440	0.000	1	115.3440	0.000	1	115.3440	0.000	1	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-3:Ge[5]-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	O[5](C[5]C[5,6]C[6a])(Ge[5]C[5,6]CC)	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>}	O[5](C[5]C[5,6]C[6a])(Ge[5]C[5,6]CC){1|C<4>,3|C<3>}	113.8570	0.000	1	113.8570	0.000	1	113.8570	0.000	1	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-3:P[5]-4:	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	O[5](C[5]C[5,6]C[6a])(P[5]C[5,6]MoC)	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>}	O[5](C[5]C[5,6]C[6a])(P[5]C[5,6]MoC){1|C<4>,1|H<1>,3|C<3>}	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:	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	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN)	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>}	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN){1|C<4>,3|C<3>}	113.8410	0.000	1	113.5435	0.177	2	113.5435	0.177	2	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Si[5]-4:	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	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN)	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>}	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN){1|C<4>,3|C<3>}	113.2460	0.000	1	113.5435	0.177	2	113.5435	0.177	2	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	114.4420	0.000	1	114.4420	0.000	1	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){2|H<1>,3|C<3>}	114.6840	1.585	2	114.6840	2.513	2	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	112.9730	0.000	1	112.5740	0.318	2	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,3|C<3>}	112.1750	0.000	1	112.5740	0.318	2	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	113.3905	0.039	2	114.4483	1.498	4	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|C<2>,1|H<1>,3|C<3>}	115.5060	0.126	2	114.4483	1.498	4	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|C<2>,2|C<3>,2|H<1>}	115.8510	0.000	1	115.8510	0.000	1	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	113.6040	0.000	1	113.5090	0.109	3	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[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{2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|H<1>,4|C<3>}	113.4615	0.452	2	113.5090	0.109	3	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	115.3825	0.262	2	115.3825	0.069	2	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<3>}	115.0600	0.000	1	115.0600	0.000	1	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]HN)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HN){1|C<4>,1|H<1>,3|C<3>}	115.3510	0.000	1	115.3510	0.000	1	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|I<1>,2|C<3>,2|H<1>}	113.9190	0.000	1	113.9190	0.000	1	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|P<4>,2|C<3>,2|H<1>}	112.7015	0.101	2	112.7015	0.010	2	114.1813	1.435	20	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	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[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)	O[5](C[5]C[6a]C[5])(C[5]C[5]HH)	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>}	O[5](C[5]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|C<2>,1|C<3>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Al<6>,1|C<4>,1|H<1>,2|C<3>}	116.4677	0.228	3	116.5463	0.317	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Al)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Al<6>,1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Al<6>,2|C<3>,2|H<1>}	116.6250	0.850	3	116.5463	0.317	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<6>,1|C<4>,1|H<1>,2|C<3>}	127.3090	1.418	2	124.5016	4.784	7	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<5>,2|C<3>,2|C<4>}	122.3490	0.935	2	124.5016	4.784	7	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<6>,2|C<3>,2|C<4>}	124.1040	0.000	1	124.5016	4.784	7	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Co)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<7>,2|C<3>,2|C<4>}	124.0455	0.463	2	124.5016	4.784	7	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<4>,1|C<4>,1|H<1>,2|C<3>}	114.1475	0.392	4	113.9390	0.212	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Co)(O[5]C[5]){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Co<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Co<4>,1|H<1>,3|C<3>}	113.5220	0.281	2	113.9390	0.212	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cr)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cr)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Cr)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	122.2258	0.362	4	122.2258	0.131	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	115.4240	0.000	1	115.6520	0.104	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){4|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|H<1>,3|C<3>}	115.8800	0.000	1	115.6520	0.104	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cu<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<5>,1|C<4>,1|H<1>,2|C<3>}	115.0920	0.491	2	115.0920	0.241	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	117.1420	0.000	1	117.1420	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cu<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Cu<4>,1|C<4>,1|H<1>,2|C<3>}	114.2362	1.183	4	114.2362	1.398	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<4>,1|C<4>,1|H<1>,2|C<3>}	114.5054	0.918	8	114.5054	0.843	8	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<6>,1|C<4>,1|H<1>,2|C<3>}	124.0125	1.555	4	123.9453	1.647	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,2|C<3>,2|C<4>}	124.6840	0.000	1	123.9453	1.647	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Fe)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<6>,2|C<3>,2|C<4>}	123.8333	1.298	9	123.9453	1.647	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	116.4980	0.000	1	116.4980	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	116.4120	0.000	1	116.1880	0.485	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<4>,1|H<1>,3|C<3>}	116.4405	0.779	2	116.1880	0.485	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Fe)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Fe<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,1|H<1>,3|C<3>}	115.8235	0.944	2	116.1880	0.485	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,3|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){2|C<3>,3|H<1>}	118.7080	0.000	1	118.7080	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	116.9250	1.080	5	116.2470	1.394	12	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|H<1>}	115.7627	1.059	7	116.2470	1.394	12	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<5>,1|C<4>,1|H<1>,2|C<3>}	113.6380	0.303	2	114.1480	0.826	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	115.1680	0.000	1	114.1480	0.826	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Ir<8>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,1|H<1>,3|C<3>}	115.6020	0.000	1	115.6020	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<6>,2|C<3>,2|C<4>}	123.8774	0.738	7	124.1038	0.538	17	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<7>,2|C<3>,2|C<4>}	124.2622	0.725	10	124.1038	0.538	17	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<5>,1|C<4>,1|H<1>,2|C<3>}	120.3170	0.000	1	122.0305	2.267	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<7>,2|C<3>,2|C<4>}	121.0455	0.059	2	122.0305	2.267	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,2|C<3>,2|C<4>}	122.6490	0.000	1	122.0305	2.267	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,2|C<3>,2|H<1>}	124.3920	0.000	1	122.0305	2.267	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ir<8>,1|H<1>,3|C<3>}	122.7340	0.000	1	122.0305	2.267	6	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<4>,2|C<3>,2|C<4>}	115.5260	0.236	2	114.1945	0.479	12	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Mg<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<6>,2|C<3>,2|C<4>}	113.9282	0.327	10	114.1945	0.479	12	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mg)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Mg<7>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mg<7>,1|C<4>,1|H<1>,2|C<3>}	114.8452	0.917	4	114.8452	0.841	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mn<5>,1|C<4>,1|H<1>,2|C<3>}	117.0180	0.209	2	117.4297	0.530	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mn)(O[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Mn<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mn<5>,1|H<1>,3|C<3>}	118.2530	0.000	1	117.4297	0.530	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Mo)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Mo<6>,1|C<4>,1|H<1>,2|C<3>}	113.3510	0.000	1	113.3510	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ni<4>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<4>,1|H<1>,2|C<3>}	115.6430	0.000	1	115.6430	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<4>,1|H<1>,2|C<3>}	117.3073	0.788	9	117.4272	1.851	15	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	115.1975	0.223	2	117.4272	1.851	15	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,3|C<3>}	118.8118	1.025	4	117.4272	1.851	15	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ni)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ni<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ni<4>,1|C<4>,1|H<1>,2|C<3>}	117.3860	0.000	1	117.3860	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Os<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	115.3050	0.000	1	115.3050	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Os)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Os)(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Os)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Os<9>,2|C<3>,2|H<1>}	126.4190	0.000	1	126.4190	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	116.8635	0.961	6	116.4931	0.880	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|C<4>}	116.2140	0.000	1	116.4931	0.880	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<5>,2|C<3>,2|C<4>}	115.3737	0.787	3	116.4931	0.880	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,3|C<3>}	116.8470	0.376	4	116.4931	0.880	14	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|H<1>}	117.6260	0.000	1	117.6260	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	115.1035	0.643	2	115.1035	0.413	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	114.9165	0.359	2	115.6390	0.813	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|P<4>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|H<1>}	116.3615	0.472	2	115.6390	0.813	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	115.0675	0.646	2	115.2397	0.297	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|S<4>,3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,3|C<3>}	115.5840	0.000	1	115.2397	0.297	3	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Pd<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|H<1>}	116.0018	0.908	4	116.0018	0.824	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	123.8962	0.561	6	123.6653	0.304	11	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|C<4>}	123.4935	0.426	4	123.6653	0.304	11	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,2|C<3>,2|H<1>}	122.9670	0.000	1	123.6653	0.304	11	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pt<4>,2|C<3>,2|C<4>}	117.5550	0.000	1	117.5550	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){3|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Pt)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pt<4>,1|H<1>,3|C<3>}	124.7430	0.000	1	124.7430	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|C<4>}	114.4430	0.000	1	116.7338	0.920	20	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|C<4>}	116.1280	0.000	1	116.7338	0.920	20	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|C<4>}	115.5317	0.524	3	116.7338	0.920	20	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Re)(O[5]C[5]){1|O<2>,2|C<3>,5|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Re<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Re<6>,2|C<3>,2|H<1>}	117.1673	0.545	15	116.7338	0.920	20	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|F<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]F)(C[6a]C[6a]O){1|Rh<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<6>,1|H<1>,3|C<3>}	116.9700	0.000	1	116.9700	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<7>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<7>,1|C<4>,1|H<1>,2|C<3>}	114.2450	0.013	2	114.2450	0.000	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Rh)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Rh)(C[6a]C[6a]H){2|C<3>,3|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Rh<6>,2|C<3>,2|C<4>}	123.6575	0.062	2	123.6575	0.004	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Ru)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Ru<9>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	116.5496	0.676	5	116.5496	0.457	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Sn<5>,2|C<3>,2|C<4>}	115.3140	0.000	1	115.3140	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Sn<5>,1|C<4>,1|H<1>,2|C<3>}	117.3470	0.000	1	118.0658	0.319	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Sn)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Sn)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Sn<5>,2|C<3>,2|C<4>}	118.2455	0.458	4	118.0658	0.319	5	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Te)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Te)(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Te)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Te)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Te<5>,1|C<4>,1|H<1>,2|C<3>}	122.4630	0.000	1	122.4630	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]V)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|V<5>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|V<5>,2|C<3>,2|C<4>}	116.0490	0.164	2	116.0490	0.027	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Zn<4>,1|C<4>,1|H<1>,2|C<3>}	115.6940	0.000	1	115.6940	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<3>,1|C<4>,1|H<1>,2|C<3>}	116.8850	0.505	2	115.6923	0.517	22	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,1|C<4>,1|H<1>,2|C<3>}	115.1790	0.480	4	115.6923	0.517	22	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	115.2361	0.518	8	115.6923	0.517	22	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<3>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<3>,2|C<3>,2|C<4>}	115.7450	0.000	1	115.6923	0.517	22	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,2|C<3>,2|C<4>}	116.1587	0.397	7	115.6923	0.517	22	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Zn<4>,1|H<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,2|C<3>,2|C<4>}	116.6762	0.578	4	116.6762	0.334	4	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]S){1|Zn<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<4>,1|C<4>,1|H<1>,2|C<3>}	117.0290	0.901	2	117.0290	0.812	2	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){2|C<3>,6|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)2{1|Zn<5>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Zn<5>,2|C<3>,2|H<1>}	114.1410	0.000	1	114.1410	0.000	1	117.9625	13.448	249	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[5a,6a]C[6a])(N[5]C[5]Fe)(O[5]C[5]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Fe<5>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	115.8192	0.679	4	115.8192	0.461	4	115.8192	0.461	4	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5]Al)(O[5]C[5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]O){1|Al<6>,2|C<4>,2|H<1>,3|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Al<6>,1|C<4>,1|H<1>,2|C<3>}	118.6890	0.820	3	118.6890	0.673	3	118.6890	0.673	3	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<5>,1|H<1>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<5>,2|C<3>,2|C<4>}	116.3950	0.000	1	116.3950	0.000	1	116.8025	0.332	2	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	3:4:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	O[5](C[5]C[6a]N[5])(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,4|C<3>}	O[5](C[5]C[6a]N[5])(C[5]C[5]HH){1|Pd<4>,1|H<1>,3|C<3>}	117.2100	0.000	1	117.2100	0.000	1	116.8025	0.332	2	117.5715	13.170	285	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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[5,5]-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	O[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C[6a])	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>}	O[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]C[6a]){1|C<4>,6|C<3>}	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a])	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>}	O[5](C[5,6]C[5,6,6]C[6a]O[6])(C[5]C[5,6]C[6a]){1|B<4>,1|C<4>,1|H<1>,1|P<4>,4|C<3>}	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-4:C[5]-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	O[5](Si[5,5]C[5,6]C[5]2)(C[5]C[5,6]C[6a])	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>}	O[5](Si[5,5]C[5,6]C[5]2)(C[5]C[5,6]C[6a]){4|Si<4>,1|H<1>,2|C<4>,4|C<3>}	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5,6]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,6]-4:C[5]-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	O[5](Si[5,6]N[5,6]N[6]2)(C[5]C[5,6]C[6a])	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>}	O[5](Si[5,6]N[5,6]N[6]2)(C[5]C[5,6]C[6a]){8|C<3>}	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5])	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>}	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5]){1|C<4>,3|C<3>,3|H<1>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5])	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>}	O[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	111.4040	0.216	2	111.4040	0.047	2	113.3696	3.350	5	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])	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>}	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]){1|C<2>,1|N<3>,1|O<1>,6|C<3>}	115.0290	0.000	1	115.0290	0.000	1	113.3696	3.350	5	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])	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>}	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.1230	0.000	1	114.1230	0.000	1	113.3696	3.350	5	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5])	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>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	114.8880	0.000	1	114.8880	0.000	1	113.3696	3.350	5	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[6a]C[5])	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>}	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[6a]C[5]){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	115.7980	0.000	1	115.7980	0.000	1	114.4237	1.578	3	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	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[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	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5])	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>}	O[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[6a]C[5]){1|N<3>,8|C<3>}	113.7365	0.568	2	113.7365	0.322	2	114.4237	1.578	3	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-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	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[5,5]C[6a]C)(C[5]C[6a]C[5]){1|C<2>,6|C<3>}	113.4290	0.783	2	113.4290	0.614	2	114.0945	0.795	4	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4: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	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){1|O<1>,5|C<3>}	114.7600	0.000	2	114.7600	0.000	2	114.0945	0.795	4	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	P[5,6]-4:C[5]-3:	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	O[5](P[5,6]C[5,6]C[6]S)(C[5]C[6a]C[5])	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>}	O[5](P[5,6]C[5,6]C[6]S)(C[5]C[6a]C[5]){1|C<4>,3|H<1>,4|C<3>}	113.2460	0.000	1	113.2460	0.000	1	113.2460	0.000	1	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-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	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){6|C<3>}	112.8440	0.000	1	113.0500	0.085	2	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-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	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	113.2560	0.000	1	113.0500	0.085	2	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-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	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	113.0960	0.000	1	112.7665	0.217	2	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-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	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){6|C<3>}	112.4370	0.000	1	112.7665	0.217	2	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-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	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]O)(C[5]C[6a]C[5]){6|C<3>}	113.4110	0.000	1	113.4110	0.000	1	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	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]-4:C[5]-3:	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	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])	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>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]){1|S<2>,2|H<1>,4|C<3>}	112.6970	0.000	1	112.6970	0.000	1	112.9568	0.133	6	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H)	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Ir)(O[5]C[5]){3|H<1>,4|C<3>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Ir)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,5|C<3>}	123.1645	0.030	2	123.1645	0.001	2	123.1645	0.001	2	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	N[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[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<4>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Ir<4>,3|H<1>,4|C<3>}	114.5160	0.000	1	115.0670	0.593	3	114.8388	0.604	4	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	N[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[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Ir)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ir<6>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Ir<6>,3|H<1>,4|C<3>}	115.3425	0.855	2	115.0670	0.593	3	114.8388	0.604	4	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	4:3:	N[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[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5])	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5])	C[5](N[5]C[5,5]Rh)(C[6a]C[6a]2)(O[5]C[5,5]){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]N[5]){1|Rh<8>,3|H<1>,4|C<3>}	114.1540	0.000	1	114.1540	0.000	1	114.8388	0.604	4	114.3295	7.072	30	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[4,5]-5:C[5]-3:	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	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[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>}	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[5]){2|C<4>,4|C<3>}	114.6660	0.076	2	114.6660	0.006	2	114.6660	0.006	2	114.9080	0.179	3	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	5:3:	C[5]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-5:C[5]-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	O[5](Si[5,5]C[5,5]C[6a]2O[5])(C[5]C[6a]C[5])	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>}	O[5](Si[5,5]C[5,5]C[6a]2O[5])(C[5]C[6a]C[5]){9|C<3>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	114.9080	0.179	3	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	3:3:2:	3:3:3:	6:3:	C[5,5a]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	Si[5,5]-6:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5])	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O[5]Si[5,5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[5]C[5,5a]O[5])(C[6a]C[6a]H)2{1|Si<6>,1|N<3>,2|C<3>,2|H<1>}	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	115.2690	0.365	2	115.2690	0.133	2	115.2690	0.133	2	115.2690	0.133	2	117.3052	11.865	799	117.4412	12.187	825
818	643	976	0:SP2_SP2_SP2	C[5]	C[6a]	O[5]	4:3:2:	3:3:3:	3:3:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a]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	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[5]C[5]O[5])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	117.3052	11.865	799	117.4412	12.187	825