818	643	987	0:SP2_SP-NON_SP2	C[5,6]	C[6,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[5,6]-3:P[5]-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H)	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(P[5]N[5,6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]P[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	P[5](C[5,6]C[6,6a]N[5,6])(N[5,6]C[6,6a]C[5,6]){6|C<3>}	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[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:C[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	P[5](C[5]C[6a]N[5])2	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>}	P[5](C[5]C[6a]N[5])2{1|C<4>,4|C<3>}	126.9630	0.000	1	126.9630	0.000	1	126.9630	0.000	1	127.5262	6.060	6	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|C<4>,4|C<3>}	129.4380	0.324	2	129.5227	0.074	3	129.5227	0.074	3	127.5262	6.060	6	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[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	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[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>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,4|C<3>}	129.6920	0.000	1	129.5227	0.074	3	129.5227	0.074	3	127.5262	6.060	6	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[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]-3:C[5]-3:	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	P[5](C[5]C[6a]O[5])(C[5]P[5]O)	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>}	P[5](C[5]C[6a]O[5])(C[5]P[5]O){2|C<3>}	126.0690	0.000	1	126.0690	0.000	1	126.0690	0.000	1	127.5262	6.060	6	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:2:2:	3:3:3:	3:3:	C[6a]-3:P[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)(P[5]C[5])(S[5]P[5])	C[6a](C[5]P[5]S[5])(C[6a]C[6a]C)2	P[5](C[5]C[6a]S[5])(C[5]P[5]O)	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>}	P[5](C[5]C[6a]S[5])(C[5]P[5]O){2|C<3>}	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	127.5262	6.060	6	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:N[5]-3:P[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]H)(P[5]C[5,6a])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a])	P[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]H)(P[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|N<2>,2|H<1>,3|C<3>}	126.1705	0.620	2	126.1705	0.385	2	126.1705	0.385	2	126.1705	0.385	2	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5])	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(P[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]C[5]P[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	P[5](C[5]C[6a]C[5])(C[5]C[5]C){1|C<4>,3|C<3>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[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]Ba)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Ba<10>,1|N<3>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]N[5])2{1|Ba<10>,4|C<3>}	125.8443	0.812	4	125.9962	0.489	6	126.3169	0.708	24	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[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]Ba)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ba)(P[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Ba<8>,1|N<3>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]N[5])2{1|Ba<8>,4|C<3>}	126.3000	0.437	2	125.9962	0.489	6	126.3169	0.708	24	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[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]C)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]C)(P[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]N[5])2{1|C<4>,4|C<3>}	127.3300	0.000	1	127.3300	0.000	1	126.3169	0.708	24	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[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]Sm)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Sm<11>,1|N<3>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]N[5])2{1|Sm<11>,4|C<3>}	126.6080	0.661	4	126.3705	0.759	17	126.3169	0.708	24	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[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]Sm)(P[5]C[5])	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2	P[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Sm)(P[5]C[5]){2|H<1>,3|C<3>}	C[6a](C[5]N[5]P[5])(C[6a]C[6a]H)2{1|Sm<9>,1|N<3>,2|C<3>,2|H<1>}	P[5](C[5]C[6a]N[5])2{1|Sm<9>,4|C<3>}	126.2975	0.937	13	126.3705	0.759	17	126.3169	0.708	24	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	987	0:SP2_SP-NON_SP2	C[5]	C[6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:N[5]-3:P[5]-2:	C[6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5,6a]H)(P[5]C[5,6a]){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	127.4200	0.000	1	127.4200	0.000	1	127.4200	0.000	1	126.1838	1.515	26	126.4199	2.348	34	126.4273	2.281	35
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	122.0350	0.000	1	122.0350	0.000	1	121.2940	0.415	3	121.2940	0.415	3	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[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>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5]){5|C<3>}	120.9235	0.081	2	120.9235	0.007	2	121.2940	0.415	3	121.2940	0.415	3	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:2:	3:3:2:	3:3:	C[6a]-3:Se[5]-2: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])(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])	Se[5](C[5]C[6a]N[5])2	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>}	Se[5](C[5]C[6a]N[5])2{2|C<3>,2|N<2>}	122.1135	0.344	2	122.1135	0.119	2	122.1135	0.119	2	122.1135	0.119	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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:C[5]-2:	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	Se[5](C[5]C[6a]N[5])(C[5]C[5])	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>}	Se[5](C[5]C[6a]N[5])(C[5]C[5]){3|C<3>}	121.9200	0.000	1	121.9200	0.000	1	121.9200	0.000	1	120.8905	2.120	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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:S[5]-2:	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	Se[5](C[5]C[6a]N[5])(S[5]C[5])	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>}	Se[5](C[5]C[6a]N[5])(S[5]C[5]){1|N<3>,2|C<3>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	120.8905	2.120	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl)	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>}	Se[5](C[5]C[6a]N[5])(C[5]C[5]Cl){1|C<4>,2|C<3>}	121.2420	0.082	2	121.2420	0.007	2	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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	Se[5](C[5]C[6a]N[5])(C[5]C[5]H)	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>}	Se[5](C[5]C[6a]N[5])(C[5]C[5]H){1|C<4>,2|C<3>}	121.3150	0.000	1	122.0860	1.627	10	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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	Se[5](C[5]C[6a]N[5])(C[5]C[5]H)	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>}	Se[5](C[5]C[6a]N[5])(C[5]C[5]H){3|C<3>}	122.1717	1.322	9	122.0860	1.627	10	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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	Se[5](C[5]C[6a]N[5])(C[5]C[5]N)	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>}	Se[5](C[5]C[6a]N[5])(C[5]C[5]N){3|C<3>}	121.6100	0.000	1	121.6100	0.000	1	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	Se[5](C[5]C[6a]N[5])2	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>}	Se[5](C[5]C[6a]N[5])2{4|C<3>}	123.9590	0.000	1	123.9590	0.000	1	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[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>}	Se[5](C[5]C[5a]N[5])(C[5]C[6a]N[5]){1|O<2>,3|C<3>}	123.2465	0.245	2	123.2465	0.060	2	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[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]N[5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]N[5])2	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>}	Se[5](C[5]C[6a]N[5])2{4|C<3>}	123.1115	1.552	6	123.1115	2.408	6	122.4580	1.803	22	122.4580	1.803	22	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:Se[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)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[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>}	Se[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.6575	0.528	2	121.6575	0.279	2	121.1640	0.870	3	121.1640	0.870	3	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:2:	3:3:3:	4:3:	C[6a]-3:Se[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)(Se[5]C[5,5])(N[5]N[5,5])	C[6a](C[5]Se[5]N[5])(C[6a]C[6a]H)2	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[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>}	Se[5](C[5,5]N[5,5]C[5]H)(C[5]C[6a]N[5]){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	120.1770	0.000	1	120.1770	0.000	1	121.1640	0.870	3	121.1640	0.870	3	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:2:	C[6a]-3:Se[5]-2:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(Se[5]C[5])	C[5](C[6a]C[6a]2)(Se[5]Se[5])(C[5]C[5]H){2|H<1>,3|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	Se[5](C[5]C[6a]C[5])(Se[5]C[5]){1|H<1>,3|C<3>}	117.3655	0.736	2	117.3655	0.542	2	117.3655	0.542	2	117.3655	0.542	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])	C[5](C[5]N[5,5a]Se)(Se[5]C[5,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	Se[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5]){1|Se<2>,1|H<1>,4|C<3>}	118.1145	0.576	2	118.1145	0.332	2	118.1145	0.332	2	118.9302	1.335	5	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	120.4560	0.000	1	120.4560	0.000	1	119.4740	1.394	3	118.9302	1.335	5	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	118.9830	1.158	2	118.9830	1.342	2	119.4740	1.394	3	118.9302	1.335	5	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){1|N<2>,2|H<1>,3|C<3>}	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	118.0595	0.258	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a])	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]H)(Se[5]C[5]){2|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	118.0595	0.258	2	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5])	C[5](C[5,5]C[5,5]Se[5])(C[6a]C[6a]2)(Se[5]Se[5]){1|Se<2>,2|H<1>,3|C<3>}	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{2|Se<2>,2|C<3>,2|H<1>}	Se[5](C[5]C[5,5]C[6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	115.2630	0.000	1	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2	Se[5](C[5]C[5,5]C[6a])2	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5]C[5,5]Se[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	Se[5](C[5]C[5,5]C[6a])2{2|C<4>,4|C<3>}	120.2850	0.281	2	120.2850	0.079	2	120.2850	0.079	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5]){5|C<3>}	115.9050	0.000	1	115.9050	0.000	1	115.5780	0.214	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5]C[6a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	Se[5](C[5,5]C[5,5]Se[5])(C[5]C[6a]C[5]){5|C<3>}	115.2510	0.000	1	115.2510	0.000	1	115.5780	0.214	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,3|C<3>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	120.1600	0.000	1	120.1600	0.000	1	120.0270	0.035	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]I)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	119.8940	0.000	1	119.8940	0.000	1	120.0270	0.035	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(Se[5]C[5]){2|H<1>,6|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	Se[5](C[5]C[6a]C[5])2{6|C<3>}	120.0465	0.342	2	120.0465	0.117	2	120.0465	0.117	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6])	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H)	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	C[5](C[5]C[5,6]Br)(C[6a]C[6a]2)(Se[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	Se[5](C[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	118.5975	0.062	2	118.5975	0.004	2	118.5975	0.004	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[5,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]N[5])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|Se<2>,1|N<2>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	123.7195	0.457	2	123.7195	0.209	2	123.7195	0.209	2	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]2)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]2){1|Se<2>,2|H<1>,3|C<3>}	119.0385	2.620	4	119.0385	6.866	4	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]Si)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]Si){2|C<3>,2|H<1>}	124.1210	3.285	2	124.1210	10.793	2	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){2|C<3>,4|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	121.6860	0.000	1	121.6860	0.000	1	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])2	C[5](C[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	Se[5](C[5]C[6a]C[5])2{2|H<1>,4|C<3>}	121.0030	1.621	6	121.0030	2.627	6	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	119.5480	0.201	2	118.9540	1.079	3	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]C){1|H<1>,1|I<1>,2|C<3>}	117.7660	0.000	1	118.9540	1.079	3	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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]I)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(Se[5]C[5]){3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|I<1>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){1|I<1>,3|C<3>}	118.1980	0.748	2	118.1980	0.560	2	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]N[5]N[6])	C[5](C[6a]C[6a]2)(C[5]N[5]C)(Se[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]N[5]N[6]){2|C<4>,3|C<3>}	121.2480	0.000	1	121.2480	0.000	1	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[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)(Se[5]C[5])	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5])(C[5]Se[5]N)	C[5](C[6a]C[6a]2)(C[5]Se[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5])(C[6a]C[6a]H)2{1|Se<2>,2|C<3>,3|H<1>}	Se[5](C[5]C[6a]C[5])(C[5]Se[5]N){1|H<1>,2|C<3>}	117.3590	0.000	1	117.3590	0.000	1	120.1983	5.858	20	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	Se[5](C[5]C[6a]C[5])(C[5]C[5]H)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|H<1>,3|C<3>}	Se[5](C[5]C[6a]C[5])(C[5]C[5]H){2|C<3>,2|H<1>}	123.1020	1.018	2	123.1020	1.037	2	120.8232	3.606	6	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	997	0:SP2_SP2_SP3	C[5]	C[6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H)	Se[5](C[5]C[6a]C[5])2	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]H)(Se[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]Se[5]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	Se[5](C[5]C[6a]C[5])2{2|H<1>,4|C<3>}	119.6838	0.687	4	119.6838	0.472	4	120.8232	3.606	6	120.1424	5.539	38	120.6704	5.325	80	120.6704	5.325	80
818	643	999	6:SP2_SP2_SP3	C[5,6]	C[6,6a]	N[5,6]	3:4:3:	3:3:3:	3:4:3:4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<3>,3|H<1>}	117.7435	0.404	2	117.7435	0.163	2	117.5927	0.150	3	117.5927	0.150	3	117.5927	0.150	3	117.5927	0.150	3
818	643	999	6:SP2_SP2_SP3	C[5,6]	C[6,6a]	N[5,6]	3:4:3:	3:3:3:	3:4:3:4:	C[6,6a]-3:N[5,6]-4:C[5]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O)	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]C)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	117.2910	0.000	1	117.2910	0.000	1	117.5927	0.150	3	117.5927	0.150	3	117.5927	0.150	3	117.5927	0.150	3
818	658	818	0:SP2_SP2_SP3	C[5,6]	Si[6]	C[5]	4:3:4:	3:4:4:4:	3:3:3:	Si[5,6,6]-4:C[5]-3:Si[6]-4:	C[5,6]-3:C[6]-4:C-4:C-4:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC)	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6](Si[5,6,6]C[5,6]C[6]2)(C[5]C[6a]C[5])(Si[6]C[6]CC){1|Si<4>,3|C<3>,3|C<4>,5|H<1>}	Si[6](C[5,6]Si[5,6,6]C[5])(C[6]C[6]CH)(CH3)2{1|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6]Si[5,6,6]Si[6])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|Si<4>,2|H<1>,4|C<3>,5|C<4>}	132.5648	0.619	4	132.5648	0.384	4	132.5648	0.384	4	132.5648	0.384	4	132.5648	0.384	4	132.5648	0.384	4
818	679	818	5:SP2_SP2_SP3	C[5]	B[5,5a]	C[5,5]	4:3:3:	4:3:2:2:	4:3:3:	B[5,5a]-4:C[5,5]-3:N[6]-3:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	N[5,6]-4:C[5,5]-3:C[5]-3:	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6])	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	C[5,5](N[5,6]B[5,5a]C[6]2)(C[5,5]N[5,6]C[5])(C[5]B[5,5a]N[6]){1|N<3>,4|H<1>,4|O<2>,6|C<4>}	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1	110.0400	0.000	1
818	679	856	0:SP2_SP3_SP3	C[5]	B[5,5a]	N[6]	4:3:3:	4:3:2:2:	3:4:4:	B[5,5a]-4:C[5,5]-3:N[6]-3:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	C[5]-3:C[6]-4:C[6]-4:	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2)	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2	C[5](B[5,5a]N[5,6]O[5a]2)(C[5,5]C[5,5]N[5,6])(N[6]C[6]2){1|B<4>,3|C<3>,4|H<1>,6|C<4>}	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<4>,2|O<2>,4|H<1>}	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,5a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H)	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a]){8|C<3>}	144.4800	0.000	1	144.4800	0.000	1	144.4800	0.000	1	144.4800	0.000	1	144.4800	0.000	1	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	141.1680	0.000	1	141.1680	0.000	1	138.7200	6.306	5	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	140.2280	0.000	1	140.2280	0.000	1	138.7200	6.306	5	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	134.6100	0.000	1	134.6100	0.000	1	138.7200	6.306	5	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	138.6310	0.000	1	138.6310	0.000	1	138.7200	6.306	5	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	138.9630	0.000	1	138.9630	0.000	1	138.7200	6.306	5	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|C<4>,4|H<1>,5|C<3>}	142.1810	0.000	1	142.1810	0.000	1	142.1810	0.000	1	139.2968	7.042	6	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	130.2666	2.167	10	130.2666	4.695	10	130.2666	4.695	10	130.2666	4.695	10	133.6529	25.550	16	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a])	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,5|C<3>}	126.9160	0.000	1	126.9160	0.000	1	126.9160	0.000	1	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	126.0700	0.000	1	126.0700	0.000	1	126.0700	0.000	1	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	126.8700	0.000	1	126.8700	0.000	1	127.2294	0.441	10	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.4910	0.000	1	127.2693	0.478	9	127.2294	0.441	10	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	126.7210	0.000	1	127.2693	0.478	9	127.2294	0.441	10	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	126.5410	0.000	1	127.2693	0.478	9	127.2294	0.441	10	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	127.4452	0.743	6	127.2693	0.478	9	127.2294	0.441	10	127.1067	0.476	12	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.3645	0.187	2	125.3645	0.035	2	124.4657	2.441	3	123.7474	1.412	7	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6680	0.000	1	122.6680	0.000	1	124.4657	2.441	3	123.7474	1.412	7	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn)	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	123.5695	0.455	2	123.5695	0.207	2	123.2088	0.294	4	123.7474	1.412	7	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn)	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<5>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn){1|N<3>,5|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	122.8480	0.395	2	122.8480	0.156	2	123.2088	0.294	4	123.7474	1.412	7	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5a]	4:3:3:	3:3:3:	3:3:3:	C[4,5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni)	C[5a](C[5]C[4,5,5]C[5,5a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|H<1>,9|C<3>}	C[5,5a](C[5,5a]C[4,5,5]C[5a])(C[5]C[4,5,5]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5]C[4,5,5]C[5,5a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.8575	1.105	2	120.8575	1.221	2	120.8575	1.221	2	120.8575	1.221	2	125.1699	6.333	22	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,5|C<3>}	127.4810	0.000	1	127.4810	0.000	1	127.4810	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a])	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]){1|S<2>,8|C<3>}	C[5a](C[5]C[5,6a]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,4|C<3>}	129.6140	0.000	1	129.6140	0.000	1	129.6140	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<1>,3|C<3>}	134.6060	0.000	1	134.6060	0.000	1	134.6060	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	122.0880	0.000	1	122.0880	0.000	1	120.6936	0.752	5	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	120.5510	0.518	2	120.3257	0.286	3	120.6936	0.752	5	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|S<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	119.8750	0.000	1	120.3257	0.286	3	120.6936	0.752	5	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	120.4030	0.000	1	120.4030	0.000	1	120.6936	0.752	5	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|C<3>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]){1|C<2>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	126.2900	0.000	1	126.2900	0.000	1	126.2900	0.000	1	123.6253	18.556	14	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	131.5620	0.891	2	132.4010	1.370	4	132.4010	1.370	4	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<5>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[5a](C[5]C[5,5a]C[5,6a])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	133.2400	0.707	2	132.4010	1.370	4	132.4010	1.370	4	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.7910	0.000	1	125.7910	0.000	1	125.7910	0.000	1	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.3920	0.187	2	130.5935	0.091	4	130.5935	0.091	4	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	130.7950	0.273	2	130.5935	0.091	4	130.5935	0.091	4	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,3|C<3>}	119.5600	0.000	1	119.5600	0.000	1	121.1264	0.858	5	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|S<4>,3|C<3>}	121.4300	0.000	1	121.5180	0.121	4	121.1264	0.858	5	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	121.5473	0.420	3	121.5180	0.121	4	121.1264	0.858	5	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N){1|N<3>,1|O<1>,3|C<3>}	135.2350	0.000	1	135.2350	0.000	1	135.2350	0.000	1	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N){1|Pt<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	126.8815	0.128	2	126.8815	0.016	2	126.8815	0.016	2	127.7882	25.463	17	125.9082	26.056	31	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:3:	3:3:2:	3:3:3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5]){1|S<2>,2|O<1>,5|C<3>}	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	121.6795	19.033	4	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	120.7970	0.000	1	120.7970	0.000	1	119.5437	1.178	3	119.5437	1.178	3	121.6795	19.033	4	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	118.9170	0.021	2	118.9170	0.000	2	119.5437	1.178	3	119.5437	1.178	3	121.6795	19.033	4	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	126.0130	0.000	1	126.0130	0.000	1	126.0130	0.000	1	124.9494	3.938	5	124.9494	3.938	5	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	124.1020	0.000	1	124.1020	0.000	1	124.6835	4.779	4	124.9494	3.938	5	124.9494	3.938	5	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	127.8970	0.000	1	125.4710	11.771	2	124.6835	4.779	4	124.9494	3.938	5	124.9494	3.938	5	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|H<1>,1|N<3>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	123.0450	0.000	1	125.4710	11.771	2	124.6835	4.779	4	124.9494	3.938	5	124.9494	3.938	5	127.2314	33.656	79
818	727	727	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	123.6900	0.000	1	123.6900	0.000	1	124.6835	4.779	4	124.9494	3.938	5	124.9494	3.938	5	127.2314	33.656	79
818	727	727	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	106.5270	0.000	1	106.5270	0.000	1	106.5270	0.000	1	107.4373	1.293	4	107.3416	1.016	5	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	106.6230	0.000	1	106.6230	0.000	1	107.7970	2.757	2	107.4373	1.293	4	107.3416	1.016	5	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Os<5>,2|C<4>,6|C<3>}	108.9710	0.000	1	108.9710	0.000	1	107.7970	2.757	2	107.4373	1.293	4	107.3416	1.016	5	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	107.6280	0.000	1	107.6280	0.000	1	107.6280	0.000	1	107.4373	1.293	4	107.3416	1.016	5	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6]){11|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	106.9590	0.000	1	107.3416	1.016	5	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5a,6a]-3:C[5,6]-3:C[5,6a,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6])	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6]){9|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<1>,8|C<3>}	105.8700	0.000	1	105.8700	0.000	1	105.8700	0.000	1	105.5410	0.051	7	105.5410	0.051	7	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6]){2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	105.4862	0.188	6	105.4862	0.035	6	105.4862	0.035	6	105.5410	0.051	7	105.5410	0.051	7	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	110.4595	0.169	2	110.4595	0.029	2	110.4595	0.029	2	110.5607	0.922	4	110.5607	0.922	4	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6]){7|C<3>}	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	110.5607	0.922	4	110.5607	0.922	4	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6])(C[5,6]C[5,6,6a]C[6]){1|C<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]){7|C<3>}	109.5010	0.000	1	109.5010	0.000	1	109.5010	0.000	1	110.5607	0.922	4	110.5607	0.922	4	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:2:	3:3:2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a])	C[5](C[5,5a]C[5,5a]N[5a])2(O){2|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(N[5a]C[5a]){1|Si<4>,1|N<2>,1|S<2>}	102.1370	0.000	1	102.1370	0.000	1	102.1370	0.000	1	101.9605	0.062	2	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:2:	3:3:2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])2(O){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|S<2>}	101.7840	0.000	1	101.7840	0.000	1	101.7840	0.000	1	101.9605	0.062	2	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]S[5a])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	103.8275	1.488	2	103.8275	2.216	2	103.8275	2.216	2	103.8275	2.216	2	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)(C[5a]S[5a]H){3|C<3>}	103.8600	0.000	1	103.8600	0.000	1	104.5000	0.185	7	104.5000	0.185	7	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>}	104.7280	0.388	4	104.6067	0.126	6	104.5000	0.185	7	104.5000	0.185	7	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(O)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(O){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]O)(C[5a]C[5a]H){1|S<2>,2|C<3>}	104.3640	0.035	2	104.6067	0.126	6	104.5000	0.185	7	104.5000	0.185	7	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-2:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	104.2230	0.000	1	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:2:	3:3:2:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a])	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])2(CCC){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	103.6970	0.000	1	103.6970	0.000	1	103.6970	0.000	1	103.6970	0.000	1	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H)	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H){3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C)(C[5a]S[5a]H){3|C<3>}	104.5160	0.000	1	104.5160	0.000	1	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	106.1455	0.515	2	105.9211	1.650	7	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	106.0460	3.017	2	105.9211	1.650	7	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCC)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCC){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|S<2>,2|C<3>}	105.6883	0.349	3	105.9211	1.650	7	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCH)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCH){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	104.1850	0.000	2	104.1850	0.000	2	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	104.1880	0.000	1	104.1880	0.000	1	105.3202	1.694	11	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C[6,6]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2){2|C<3>,2|S<2>,4|C<4>,4|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	104.3150	0.000	1	104.3150	0.000	1	104.3150	0.000	1	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a])	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2){2|H<1>,2|N<3>,6|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]N[5a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|N<3>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]N[5a])(C[5]C[5,5a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	107.1510	0.000	1	107.1510	0.000	1	107.1510	0.000	1	105.3837	1.771	13	104.6532	1.948	26	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	106.1000	0.000	1	106.1000	0.000	1	106.1000	0.000	1	104.7868	0.661	5	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.8570	0.000	1	103.8570	0.000	1	103.8570	0.000	1	104.7868	0.661	5	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	104.6700	0.061	2	104.6590	0.002	3	104.6590	0.002	3	104.7868	0.661	5	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	104.6370	0.000	1	104.6590	0.002	3	104.6590	0.002	3	104.7868	0.661	5	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]C){1|C<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.2520	0.000	1	107.2520	0.000	1	107.2520	0.000	1	107.2917	0.036	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	107.1260	0.000	1	107.1260	0.000	1	107.1260	0.000	1	107.2917	0.036	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:S-2:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SC[6a]){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]S){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.2917	0.036	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	104.5360	0.030	2	104.5360	0.001	2	104.0892	0.269	4	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a]){1|Zn<5>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5a])(N[5a]C[5a,5a]Zn){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	103.6425	0.095	2	103.6425	0.009	2	104.0892	0.269	4	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[5a]){1|H<1>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	105.4160	0.000	1	105.4160	0.000	1	105.4160	0.000	1	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	106.7790	0.000	1	106.7790	0.000	1	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	106.7145	0.210	2	106.2860	1.029	8	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	106.3470	0.000	1	106.2860	1.029	8	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|B<3>,1|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	106.1010	0.000	1	106.2860	1.029	8	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	106.6180	0.000	1	106.2860	1.029	8	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	105.9310	1.770	3	106.2860	1.029	8	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|F<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	107.8940	0.000	1	107.8940	0.000	1	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|S<2>,2|C<4>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	107.2480	0.000	2	107.2480	0.000	2	106.6214	0.958	12	105.9547	1.930	17	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	106.5370	0.000	1	106.5370	0.000	1	106.5370	0.000	1	105.6387	0.608	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1390	0.000	1	105.1390	0.000	1	105.1390	0.000	1	105.6387	0.608	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:Si-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si){1|H<1>,4|C<3>}	105.2400	0.000	1	105.2400	0.000	1	105.2400	0.000	1	105.6387	0.608	3	105.8555	1.742	28	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:2:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:N[5a]-2:C[5]-3:	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O)	C[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a])(C[5]C[5,6a]O){4|C<3>}	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a]){1|H<1>,1|P<4>,2|C<3>}	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	103.6810	0.000	1	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[5]C[5,6a]H){4|C<3>}	104.8730	0.000	1	104.8730	0.000	1	104.8730	0.000	1	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]H){4|C<3>}	104.6380	0.000	1	104.6380	0.000	1	104.6380	0.000	1	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[6a]S[5a])(C[5]C[5,6a]O){5|C<3>}	104.4050	0.000	1	104.4050	0.000	1	104.6030	0.239	6	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){1|N<3>,5|C<3>}	104.6426	0.535	5	104.6426	0.286	5	104.6030	0.239	6	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	104.1150	0.245	2	104.1850	0.045	3	104.1850	0.045	3	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]H)(C[5]C[5,6a]O){4|C<3>}	104.3250	0.000	1	104.1850	0.045	3	104.1850	0.045	3	104.5167	0.180	11	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:2:	3:3:3:	3:2:3:	C[5,5a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(S[5a]C[5a,5a])(C[5]C[5,6a]C){4|C<3>}	106.5300	0.000	2	106.5300	0.000	2	106.5300	0.000	2	106.5300	0.000	2	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	102.1580	0.000	1	102.1580	0.000	1	102.1580	0.000	1	102.1580	0.000	1	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:2:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(NC){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]N)(C[5a]C[5a]H){1|C<4>,2|C<3>}	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){1|H<1>,3|C<3>}	105.1060	0.000	1	105.1060	0.000	1	104.5845	0.544	2	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C)(S[5a]C[5a]){2|C<3>,2|H<1>}	104.0630	0.000	1	104.0630	0.000	1	104.5845	0.544	2	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a]){2|S<2>,4|C<3>}	104.7155	0.128	2	104.7155	0.016	2	104.5630	0.078	3	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a]){3|C<3>,3|S<2>}	104.2580	0.000	1	104.2580	0.000	1	104.5630	0.078	3	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	106.0140	0.000	2	106.0140	0.000	2	106.1708	0.073	5	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a])(S[5a]C[5a]){1|H<1>,5|C<3>}	106.1470	0.000	1	106.1470	0.000	1	106.1708	0.073	5	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:2:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(S[5a]C[5a,6a]){6|C<3>}	106.3395	0.429	2	106.3395	0.184	2	106.1708	0.073	5	105.3712	0.821	10	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|C<4>,4|C<3>}	107.2430	0.000	1	107.2430	0.000	1	107.4443	0.030	3	107.3515	0.055	4	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	107.5450	0.000	2	107.5450	0.000	2	107.4443	0.030	3	107.3515	0.055	4	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]){2|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){8|C<3>}	107.0730	0.000	1	107.0730	0.000	1	107.0730	0.000	1	107.3515	0.055	4	105.2397	1.692	31	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[6a]C[5a,6a])(C[5]C[5,6a]H){1|N<3>,4|C<3>}	102.9750	0.000	1	102.9750	0.000	1	102.9750	0.000	1	104.3521	0.345	9	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){4|C<3>}	104.4858	0.332	5	104.4858	0.110	5	104.4858	0.110	5	104.3521	0.345	9	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){1|O<1>,4|C<3>}	104.4235	0.078	2	104.4235	0.006	2	104.5883	0.085	3	104.3521	0.345	9	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]O){1|O<1>,4|C<3>}	104.9180	0.000	1	104.9180	0.000	1	104.5883	0.085	3	104.3521	0.345	9	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[6a]C[6a]){1|H<1>,4|C<3>}	104.6630	0.000	1	104.6630	0.000	1	104.6545	0.000	2	104.6545	0.000	2	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(N[6a]C[5,6a]){4|C<3>}	104.6460	0.000	1	104.6460	0.000	1	104.6545	0.000	2	104.6545	0.000	2	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.6960	0.000	1	107.6960	0.000	1	107.4435	0.128	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	107.1910	0.000	1	107.1910	0.000	1	107.4435	0.128	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){1|H<1>,6|C<3>}	107.2823	0.271	6	107.2823	0.073	6	107.2823	0.073	6	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	106.2750	0.000	1	106.2750	0.000	1	106.2750	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	104.2570	0.000	1	103.8840	0.278	2	103.4230	0.777	3	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	103.5110	0.000	1	103.8840	0.278	2	103.4230	0.777	3	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){2|O<2>,6|C<3>}	102.5010	0.000	1	102.5010	0.000	1	103.4230	0.777	3	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	104.1860	0.000	1	104.1860	0.000	1	104.1860	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]O){1|O<1>,6|C<3>}	104.8610	0.325	2	104.8610	0.106	2	104.8610	0.106	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4478	0.554	6	105.4478	0.307	6	105.4478	0.307	6	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]O){7|C<3>}	105.5590	0.000	1	105.5590	0.000	1	105.5590	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7340	0.000	1	105.5432	0.096	6	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5050	0.331	5	105.5432	0.096	6	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.7070	0.000	1	106.7070	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.3740	0.000	1	105.3740	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|F<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]F){2|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|F<1>,3|C<3>}	105.2750	0.000	1	105.2750	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){7|C<3>}	104.9750	0.000	1	104.9750	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){1|C<4>,4|C<3>}	106.0960	0.000	1	106.0050	0.017	2	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]Si){2|C<4>,3|C<3>}	105.9140	0.000	1	106.0050	0.017	2	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.3730	0.000	1	105.3730	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	105.4990	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	105.8300	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	104.7270	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4090	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	105.1405	0.589	2	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3360	0.264	2	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4420	0.457	2	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	104.9815	0.170	2	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.1800	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2750	0.470	5	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2360	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	105.3135	0.064	2	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	104.2900	0.000	1	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.6287	0.452	4	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	105.1423	0.421	3	105.2729	0.178	29	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	104.9610	0.000	1	105.2420	0.066	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	105.3020	0.000	1	105.2420	0.066	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	105.4630	0.000	1	105.2420	0.066	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]C){1|H<1>,3|C<3>}	105.2860	0.000	1	105.2860	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	104.9600	0.000	1	104.9600	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	105.1222	0.159	4	105.1222	0.025	4	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,5|C<3>}	104.9270	0.359	2	104.8847	0.070	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,5|C<3>}	104.8000	0.000	1	104.8847	0.070	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){4|C<3>}	105.4260	0.000	1	105.2527	0.078	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	105.1660	0.332	2	105.2527	0.078	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|I<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	105.5630	0.000	1	105.5630	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	104.5070	0.000	1	104.5070	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	105.7098	0.386	13	105.7098	0.149	13	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){1|H<1>,4|C<3>}	105.8170	0.073	3	105.8170	0.005	3	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7100	0.000	1	105.7100	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	106.1050	0.000	1	106.1050	0.000	1	105.4068	0.206	77	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	105.2160	0.000	1	105.2160	0.000	1	105.4420	0.080	10	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	105.1665	0.425	2	105.1665	0.181	2	105.4420	0.080	10	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	105.5588	0.247	5	105.5588	0.061	5	105.4420	0.080	10	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){6|C<3>}	105.5385	0.047	2	105.5385	0.002	2	105.4420	0.080	10	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]O){2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]N[6,6a]C[6])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.9700	0.000	1	104.9700	0.000	1	105.2165	0.122	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6,6a]C[6,6a]C[6])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	105.4630	0.000	1	105.4630	0.000	1	105.2165	0.122	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7680	0.272	2	105.7680	0.074	2	105.5241	0.565	9	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]O){2|H<1>,3|C<3>}	105.6253	0.394	3	105.6253	0.155	3	105.5241	0.565	9	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C[5])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.5390	0.000	1	106.5390	0.000	1	105.5241	0.565	9	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1050	1.293	2	105.1050	1.671	2	105.5241	0.565	9	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.5560	0.000	1	104.5560	0.000	1	105.5241	0.565	9	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(O){6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){7|C<3>}	106.2510	0.000	2	106.2510	0.000	2	106.2510	0.000	2	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(O){1|C<4>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O){8|C<3>}	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0990	0.000	1	106.0990	0.000	1	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5023	0.094	3	105.5023	0.009	3	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.7100	0.000	1	105.7100	0.000	1	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	106.0490	0.000	1	106.2110	0.538	5	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	106.2515	0.840	4	106.2110	0.538	5	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.7940	0.000	1	104.7940	0.000	1	105.8332	0.438	11	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(O){6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,5|C<3>}	105.9290	0.000	1	105.9290	0.000	1	105.9290	0.000	1	105.5277	0.556	137	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a])	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6a]2)(NC[6a]){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]N){2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	105.0260	0.000	1	105.0260	0.000	1	105.0260	0.000	1	105.6770	0.848	2	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(NN){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])(C[5]C[5,6a]N){4|C<3>}	106.3280	0.000	1	106.3280	0.000	1	106.3280	0.000	1	105.6770	0.848	2	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:As-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(AsC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(AsC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0283	0.478	10	106.0283	0.229	10	106.2713	0.551	13	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[4])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[4]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9380	0.000	1	105.9380	0.000	1	106.2713	0.551	13	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	107.6530	0.163	2	107.6530	0.026	2	106.2713	0.551	13	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[3x6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.4425	0.042	2	106.4425	0.002	2	107.3000	1.238	5	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.6700	1.502	2	107.6700	2.256	2	107.3000	1.238	5	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	108.2750	0.000	1	108.2750	0.000	1	107.3000	1.238	5	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2920	0.000	1	105.2920	0.000	1	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5419	0.127	8	105.5419	0.016	8	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	105.3870	0.262	4	105.3870	0.069	4	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.0866	1.331	15	107.0866	1.772	15	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NN){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	106.1150	0.275	5	106.1150	0.076	5	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a])	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NN[5a]){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.3140	2.611	3	108.3140	6.815	3	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.1380	0.291	4	106.1380	0.085	4	106.4365	1.731	41	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	105.3250	0.000	1	105.3250	0.000	1	105.3250	0.000	1	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3605	0.132	2	105.3605	0.017	2	105.3605	0.017	2	106.4281	1.481	64	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	103.7730	0.000	1	103.7730	0.000	1	103.7730	0.000	1	103.8907	0.012	3	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2){8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	103.9495	0.054	2	103.9495	0.003	2	103.9495	0.003	2	103.8907	0.012	3	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	104.8490	0.000	1	104.8490	0.000	1	104.8490	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0913	0.283	3	106.1556	0.072	7	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.2037	0.289	4	106.1556	0.072	7	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	104.6520	0.000	1	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	106.5220	0.000	1	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	104.9650	0.000	1	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	106.8760	0.000	1	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	106.0275	0.521	2	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5882	0.338	11	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	105.8865	0.006	2	105.7007	0.307	19	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3090	0.000	1	105.3573	0.021	3	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3815	0.194	2	105.3573	0.021	3	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	107.8850	0.000	1	107.8850	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	109.0260	0.000	1	109.0260	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4930	0.494	2	105.4930	0.244	2	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0360	0.000	1	105.0360	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4720	0.000	2	105.4720	0.000	2	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7525	0.008	2	105.7525	0.000	2	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0980	0.000	1	105.0980	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.9040	2.722	2	102.9040	7.411	2	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.8610	0.000	1	105.2159	0.090	15	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2412	0.293	14	105.2159	0.090	15	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0175	0.381	4	105.0175	0.145	4	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.9120	0.000	1	104.9120	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	105.8440	0.000	1	105.3932	0.070	14	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	104.9130	0.000	1	105.3932	0.070	14	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3957	0.209	12	105.3932	0.070	14	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]Si){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.6265	0.025	2	105.6265	0.001	2	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.9490	0.000	1	104.9490	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5110	0.000	1	105.5110	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	105.0990	0.000	1	105.0990	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0800	0.000	1	106.0800	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4800	0.234	4	105.4800	0.055	4	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	105.2720	0.128	3	105.2720	0.017	3	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0237	0.337	3	105.0237	0.114	3	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CPP)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CPP){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.9340	0.000	1	104.9340	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9190	0.000	1	105.9190	0.000	1	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CSS)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CSS){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	105.6628	0.121	4	105.6628	0.015	4	105.4813	0.600	97	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	106.6012	0.514	4	106.6012	0.264	4	106.6498	0.216	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]C){1|C<4>,4|C<3>}	107.1050	0.000	1	107.1050	0.000	1	106.6498	0.216	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C){6|C<3>}	106.3890	0.000	1	106.3890	0.000	1	106.6498	0.216	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]C){7|C<3>}	104.9870	0.000	1	104.9870	0.000	1	104.9870	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1960	0.000	1	105.1960	0.000	1	105.7177	1.378	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|Ir<8>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]Ir){1|H<1>,4|C<3>}	107.0620	0.000	1	107.0620	0.000	1	105.7177	1.378	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]C){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	104.8950	0.000	1	104.8950	0.000	1	105.7177	1.378	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4,5]C[4]){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	105.6660	0.045	2	105.6660	0.002	2	105.5939	0.039	7	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	105.5585	0.385	2	105.5585	0.149	2	105.5939	0.039	7	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	105.5105	0.214	2	105.5693	0.033	3	105.5939	0.039	7	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[4]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[4]C[4]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	105.6870	0.000	1	105.5693	0.033	3	105.5939	0.039	7	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){10|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	107.4165	0.221	2	107.0102	0.237	4	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	106.6040	0.030	2	107.0102	0.237	4	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	104.5837	0.487	6	104.6979	0.219	10	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	105.0560	0.018	2	104.6979	0.219	10	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	105.1550	0.000	1	104.6979	0.219	10	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	104.2100	0.000	1	104.6979	0.219	10	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	107.8040	0.000	1	106.3680	4.124	2	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	104.9320	0.000	1	106.3680	4.124	2	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	105.3570	0.000	1	105.3570	0.000	1	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	106.6135	0.476	2	106.6135	0.226	2	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	106.4650	0.000	1	106.4650	0.000	1	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	106.5583	0.189	3	106.5583	0.036	3	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	106.1435	0.396	6	106.1435	0.157	6	105.8393	1.103	29	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]S[5a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]){1|S<2>,8|C<3>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|Br<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	106.3210	0.000	1	106.3210	0.000	1	105.2963	0.345	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	104.8593	0.124	3	104.8593	0.015	3	105.2963	0.345	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	105.3210	0.000	1	105.3210	0.000	1	105.2963	0.345	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	105.5580	0.000	1	105.5580	0.000	1	105.2963	0.345	6	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	108.2100	0.000	1	108.2100	0.000	1	108.2100	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	107.6670	0.740	2	107.6670	0.547	2	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	104.9900	0.210	4	104.9900	0.044	4	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	107.0530	0.000	1	107.0530	0.000	1	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.5420	0.328	2	107.5420	0.108	2	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.9005	0.046	2	107.9005	0.002	2	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.5380	0.083	2	107.5380	0.007	2	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.9150	0.000	1	108.1610	0.069	4	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.2430	0.252	3	108.1610	0.069	4	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.6050	0.000	1	107.6050	0.000	1	107.1421	1.544	18	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	108.2350	0.489	2	108.2350	0.239	2	108.1050	0.170	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]){9|C<3>}	107.8450	0.000	1	107.8450	0.000	1	108.1050	0.170	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]){9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	108.5970	0.000	1	108.4360	0.052	2	108.4360	0.052	2	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.2750	0.000	1	108.4360	0.052	2	108.4360	0.052	2	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	108.0870	0.000	1	108.0870	0.000	1	108.0277	0.031	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	107.8290	0.000	1	107.8290	0.000	1	108.0277	0.031	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.1670	0.000	1	108.1670	0.000	1	108.0277	0.031	3	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	108.0760	0.000	1	108.0760	0.000	1	106.8456	0.452	11	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NCuC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NCuC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9830	0.031	2	105.9830	0.001	2	106.8456	0.452	11	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NNiN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NNiN){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.8270	0.483	6	106.8270	0.233	6	106.8456	0.452	11	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NPdN)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NPdN){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	107.1490	0.402	2	107.1490	0.161	2	106.8456	0.452	11	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.8350	0.000	1	107.8350	0.000	1	107.8350	0.000	1	105.9693	1.302	191	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	107.2000	0.000	1	107.2000	0.000	1	107.2000	0.000	1	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(CC[5]FF){6|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]C){7|C<3>}	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2Zr)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]2Zr){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1130	0.000	2	105.1130	0.000	2	105.6170	0.340	4	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]DyO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]DyO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.1210	0.058	2	106.1210	0.003	2	105.6170	0.340	4	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CCHH){6|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C){2|H<1>,5|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	107.5400	0.000	2	107.5400	0.000	2	107.0920	0.201	5	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.5040	0.000	1	106.5040	0.000	1	107.0920	0.201	5	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:P-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.9380	0.093	2	106.9380	0.009	2	107.0920	0.201	5	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3570	0.000	1	105.3570	0.000	1	105.3570	0.000	1	106.7402	1.358	13	105.8621	1.237	421	105.8105	1.577	522
818	727	727	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){9|C<3>}	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a])	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<5>,1|S<2>,2|C<3>}	132.6870	0.000	1	132.6870	0.000	1	131.7720	1.459	3	130.6065	6.406	4	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|Br<1>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){2|Br<1>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	132.2260	0.000	1	131.3145	1.662	2	131.7720	1.459	3	130.6065	6.406	4	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	130.4030	0.000	1	131.3145	1.662	2	131.7720	1.459	3	130.6065	6.406	4	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:N[5a]-2:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H)	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a])	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,4|N<2>}	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	130.6065	6.406	4	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:N[5,6]-3:C[6]-3:	N[5,5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Ir<5>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H){1|Cl<1>,1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	126.3773	1.086	4	126.3773	1.179	4	126.3773	1.179	4	126.3773	1.179	4	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[6]	3:4:3:	3:3:3:	3:4:2:	C[5,5a]-3:C[5,6]-4:C[6]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:N-2:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6])	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]H)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5,6]C[5,6]C[6]){1|N<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5a]C[5,6])(C[6]C[6]CC)(NC){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	132.3700	0.000	1	132.3700	0.000	1	132.3700	0.000	1	132.3700	0.000	1	128.9228	8.987	9	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5a,6a]-3:C[5,6]-3:C[5,6a,6a]-3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<1>,8|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	133.8640	0.000	1	133.8640	0.000	1	133.8640	0.000	1	133.8640	0.000	1	133.8640	0.000	1	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]ClH)(COO){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	133.2650	0.000	1	133.2650	0.000	1	133.2650	0.000	1	133.2650	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H){1|C<4>,4|C<3>}	131.3810	0.000	1	131.3810	0.000	1	131.3810	0.000	1	131.3810	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	127.9700	0.000	1	127.9700	0.000	1	129.2765	3.414	2	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H){2|C<4>,5|C<3>}	130.5830	0.000	1	130.5830	0.000	1	129.2765	3.414	2	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]N)(O){5|C<3>}	127.7575	2.761	2	127.7575	7.625	2	127.7575	7.625	2	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|C<4>,1|O<1>,3|C<3>}	128.4120	0.000	1	130.3815	7.758	2	130.5168	3.430	6	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|O<2>,2|C<3>,2|C<4>}	132.3510	0.000	1	130.3815	7.758	2	130.5168	3.430	6	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	129.8035	0.971	2	129.8035	0.943	2	130.5168	3.430	6	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	131.3655	2.440	2	131.3655	5.955	2	130.5168	3.430	6	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(H){1|B<4>,5|C<3>}	129.3140	0.000	1	129.3140	0.000	1	129.3140	0.000	1	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	129.5527	0.619	3	129.5527	0.383	3	129.5527	0.383	3	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	129.0740	0.000	1	129.1942	0.378	12	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<3>,1|B<4>,3|C<3>}	129.1975	0.827	2	129.1942	0.378	12	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	128.9907	0.576	7	129.1942	0.378	12	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	129.9635	0.042	2	129.1942	0.378	12	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	132.9150	0.000	1	133.0185	0.021	2	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]C)(H){1|C<4>,4|C<3>}	133.1220	0.000	1	133.0185	0.021	2	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	133.0433	0.527	3	133.0338	0.220	6	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	133.3060	0.259	2	133.0338	0.220	6	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[5,6]H)(H){1|C<4>,4|C<3>}	132.4610	0.000	1	133.0338	0.220	6	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	131.1800	0.000	1	131.1800	0.000	1	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	127.1190	0.287	4	127.1190	0.083	4	130.1691	5.027	25	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){1|B<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H){1|B<4>,7|C<3>}	130.4140	0.000	1	130.9710	0.620	2	130.9710	0.620	2	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5,6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){2|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(N[5,6]C[5,6]B[5])(H){2|Cl<1>,1|B<4>,5|C<3>}	131.5280	0.000	1	130.9710	0.620	2	130.9710	0.620	2	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	130.2570	0.000	1	130.2570	0.000	1	129.4707	0.746	3	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	129.0775	0.752	2	129.0775	0.565	2	129.4707	0.746	3	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5]){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	129.1600	0.000	1	129.1600	0.000	1	129.1600	0.000	1	129.9752	3.855	45	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	132.7880	0.000	1	132.7880	0.000	1	132.7880	0.000	1	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]N[5])(CN){1|B<4>,1|H<1>,5|C<3>}	129.2280	0.000	1	129.2280	0.000	1	129.2300	0.000	2	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	129.2320	0.000	1	129.2320	0.000	1	129.2300	0.000	2	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	130.4900	0.000	1	130.4900	0.000	1	129.9500	0.222	4	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	129.3550	0.000	1	129.7700	0.138	3	129.9500	0.222	4	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	129.9775	0.132	2	129.7700	0.138	3	129.9500	0.222	4	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:S[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6])	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6a]C[6a]2)(S[6]C[6,6a]){1|C<4>,1|H<1>,7|C<3>}	129.2540	0.000	1	129.2540	0.000	1	129.2540	0.000	1	130.0377	1.454	8	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	128.7020	0.000	1	128.7020	0.000	1	128.7020	0.000	1	130.3066	5.304	5	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	133.5500	0.000	1	133.5500	0.000	1	133.5500	0.000	1	130.3066	5.304	5	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	128.6755	0.407	2	128.6755	0.165	2	128.6755	0.165	2	130.3066	5.304	5	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	131.9300	0.000	1	131.9300	0.000	1	131.9300	0.000	1	130.3066	5.304	5	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	134.2215	0.105	2	134.2215	0.011	2	134.2215	0.011	2	133.8830	0.182	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	133.3500	0.000	1	133.3500	0.000	1	133.5445	0.076	2	133.8830	0.182	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	133.7390	0.000	1	133.7390	0.000	1	133.5445	0.076	2	133.8830	0.182	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[4,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H)	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	133.2358	0.186	6	133.2358	0.034	6	133.2358	0.034	6	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,5|C<3>}	131.1070	0.000	1	131.1070	0.000	1	131.1070	0.000	1	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	130.9240	0.000	1	130.9240	0.000	1	130.9240	0.000	1	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:S[6]-4:Br-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)(Br)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(S[6]C[6,6a]OO)(Br){5|C<3>}	129.5260	0.000	1	129.5260	0.000	1	129.5260	0.000	1	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]C[6]H)(H){1|H<1>,7|C<3>}	129.8980	0.107	2	129.8980	0.012	2	129.8980	0.012	2	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	129.2450	0.735	2	129.2450	0.541	2	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	129.2065	0.721	4	129.5550	1.930	10	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,2|H<1>,5|C<3>}	127.8895	0.555	2	129.5550	1.930	10	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|S<4>,6|C<3>}	129.1320	0.000	1	129.5550	1.930	10	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	130.9150	0.000	1	129.5550	1.930	10	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(H){1|H<1>,1|S<4>,6|C<3>}	131.4490	0.512	2	129.5550	1.930	10	129.5033	1.643	12	130.6438	3.492	23	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6a]C[6]H)(CH3){1|H<1>,1|S<4>,5|C<3>}	130.7480	0.000	1	130.7480	0.000	1	130.7480	0.000	1	130.7480	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	134.0890	0.000	1	134.0890	0.000	1	134.0890	0.000	1	131.8725	9.826	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	129.6560	0.000	1	129.6560	0.000	1	129.6560	0.000	1	131.8725	9.826	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	128.6800	0.000	1	128.6800	0.000	1	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]Os)(C[6]C[6]H){2|Os<5>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Os<5>,1|Os<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,2|C<3>,2|C<4>}	135.0990	0.311	2	135.0990	0.097	2	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<12>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	135.4150	0.000	1	134.5816	3.057	5	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<8>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<8>,1|H<1>,1|N<3>,3|C<3>}	132.5890	0.000	1	134.5816	3.057	5	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	135.9850	0.955	2	134.5816	3.057	5	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]Zr)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|H<1>,1|N<3>,3|C<3>}	132.9340	0.000	1	134.5816	3.057	5	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	132.2540	0.000	1	132.2540	0.000	1	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|N<3>,2|C<4>,3|C<3>}	130.3210	0.000	1	130.3210	0.000	1	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	131.2900	1.143	2	131.2900	1.306	2	133.0784	6.102	12	133.0784	6.102	12	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(CN){1|S<4>,2|C<4>,3|C<3>}	129.8535	0.028	2	129.8535	0.001	2	129.8535	0.001	2	131.4613	7.756	3	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:S-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]O)(SC){1|H<1>,2|C<3>,2|C<4>}	134.6770	0.000	1	134.6770	0.000	1	134.6770	0.000	1	131.4613	7.756	3	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]C)(C[6]C[5,6]C){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(CCCH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	132.1240	0.000	1	132.1240	0.000	1	132.1240	0.000	1	132.7097	2.721	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	131.4480	0.000	1	131.4480	0.000	1	131.7890	0.233	2	132.7097	2.721	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	132.1300	0.000	1	132.1300	0.000	1	131.7890	0.233	2	132.7097	2.721	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	135.1370	0.000	1	135.1370	0.000	1	135.1370	0.000	1	132.7097	2.721	4	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	126.2440	0.000	1	126.2440	0.000	1	126.2440	0.000	1	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	134.4150	0.000	1	134.4150	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	129.1890	0.000	1	129.1890	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	129.4040	0.000	1	129.4040	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	129.6900	0.000	1	130.4788	1.080	6	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	130.9770	0.882	4	130.4788	1.080	6	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]O[6]CC)(H){1|H<1>,2|C<3>,2|C<4>}	129.2750	0.000	1	130.4788	1.080	6	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	131.7620	0.000	1	131.7620	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	131.3240	0.509	2	131.3240	0.259	2	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	130.2310	0.000	1	130.2310	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(H){1|C<4>,2|N<3>,3|C<3>}	133.4510	0.000	1	133.4510	0.000	1	130.9981	2.474	14	130.6811	3.804	15	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	130.6940	0.000	1	130.6940	0.000	1	130.6940	0.000	1	130.6940	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	131.4520	0.143	2	131.4520	0.020	2	130.7590	0.408	5	131.1828	1.404	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){2|C<4>,4|C<3>}	130.2740	0.000	1	130.2740	0.000	1	130.7590	0.408	5	131.1828	1.404	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CHHO){2|C<3>,2|C<4>,3|H<1>}	130.3085	0.107	2	130.3085	0.011	2	130.7590	0.408	5	131.1828	1.404	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:P-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]P){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(PC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	133.3020	0.000	1	133.3020	0.000	1	133.3020	0.000	1	131.1828	1.404	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	3:5:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-5:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]AlC)(C[6]C[6]C){3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Al<5>,1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH){1|Al<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	132.7930	0.000	1	132.7930	0.000	1	132.7930	0.000	1	132.7930	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){2|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,5|C<3>}	129.6555	1.696	2	129.6555	2.878	2	129.6555	2.878	2	131.6068	6.440	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]Ru)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	136.2450	0.000	1	136.2450	0.000	1	136.2450	0.000	1	131.6068	6.440	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H)	C[5,6](C[5,6]N[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,4|C<3>}	131.3617	0.090	3	131.3617	0.008	3	131.3617	0.008	3	131.6068	6.440	6	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6a]){11|C<3>,1|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	130.4770	0.000	1	130.4770	0.000	1	130.4770	0.000	1	130.4770	0.000	1	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C-4:	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	125.6960	0.000	1	125.6960	0.000	1	125.6960	0.000	1	127.3660	5.578	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:3:4:	Si[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](Si[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,6|C<3>,7|H<1>}	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]Si[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	129.0360	0.000	1	129.0360	0.000	1	129.0360	0.000	1	127.3660	5.578	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	128.9870	0.000	1	128.9870	0.000	1	128.9870	0.000	1	129.7145	1.059	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[5,6a]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H)	C[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	130.4420	0.000	1	130.4420	0.000	1	130.4420	0.000	1	129.7145	1.059	2	130.8213	4.754	143	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,5a]-3:C[5,5a]-3:C[6,6]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[6,6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H)	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2)	C[5](C[5,5a]C[5,5a]C[5a])2(C[6,6]C[6,6]2){2|C<3>,2|S<2>,4|C<4>,4|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[6,6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[6,6](C[6,6]C[6]2H)2(C[5]C[5,5a]2){2|C<4>,4|C<3>,8|H<1>}	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[3x6]-4:C[3x6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H)	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5]C[5,6a]C[5])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	130.5680	0.000	1	130.5680	0.000	1	130.5680	0.000	1	130.5680	0.000	1	130.5680	0.000	1	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2){8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|S<2>,2|H<1>,2|N<2>,6|C<3>}	127.2410	0.000	1	127.1670	0.011	2	127.1670	0.011	2	127.1670	0.011	2	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]N[6a])2(C[6]C[6,6a]2){8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|Se<2>,2|H<1>,2|N<2>,6|C<3>}	127.0930	0.000	1	127.1670	0.011	2	127.1670	0.011	2	127.1670	0.011	2	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6]){1|H<1>,1|N<2>,7|C<3>}	128.3620	0.000	1	127.1870	2.761	2	127.1870	2.761	2	127.6690	4.531	4	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]O[6]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(O[6]C[6]){1|H<1>,1|N<2>,7|C<3>}	126.0120	0.000	1	127.1870	2.761	2	127.1870	2.761	2	127.6690	4.531	4	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:N[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	130.3760	0.000	1	130.3760	0.000	1	130.3760	0.000	1	127.6690	4.531	4	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:O[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5])(O[6]C[6]){1|H<1>,8|C<3>}	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	127.6690	4.531	4	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|Br<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|O<2>,2|H<1>,8|C<3>}	126.8250	1.558	2	126.8250	2.429	2	127.3102	1.180	8	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2){1|N<3>,2|H<1>,8|C<3>}	127.4720	1.020	6	127.4720	1.041	6	127.3102	1.180	8	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	124.8830	1.247	4	124.8830	1.554	4	124.8830	1.554	4	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	122.1670	0.000	1	122.1670	0.000	1	124.4080	10.044	2	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	126.6490	0.000	1	126.6490	0.000	1	124.4080	10.044	2	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.9070	0.000	1	121.9070	0.000	1	130.2413	14.095	7	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<5>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	132.5830	0.000	1	131.5276	0.804	5	130.2413	14.095	7	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	131.5070	0.746	3	131.5276	0.804	5	130.2413	14.095	7	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Ru){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	130.5340	0.000	1	131.5276	0.804	5	130.2413	14.095	7	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	132.1440	0.000	1	132.1440	0.000	1	130.2413	14.095	7	127.5485	10.345	21	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]2)(C[6]C[6]CH){1|C<4>,2|H<1>,7|C<3>}	127.1985	1.337	2	127.1985	1.788	2	127.1985	1.788	2	127.1985	1.788	2	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	130.3735	0.231	2	130.3735	0.053	2	130.7457	0.120	6	130.7457	0.120	6	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	130.9317	0.207	4	130.9317	0.043	4	130.7457	0.120	6	130.7457	0.120	6	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	131.1030	0.000	1	131.1030	0.000	1	131.1030	0.000	1	131.1030	0.000	1	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	128.6560	1.129	2	128.6560	1.274	2	129.3670	2.153	3	129.3670	2.153	3	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]HO){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]C[6]){1|O<2>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	130.7890	0.000	1	130.7890	0.000	1	129.3670	2.153	3	129.3670	2.153	3	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6]C[6]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2{2|C<4>,2|O<2>,4|C<3>}	131.5890	0.000	1	131.5890	0.000	1	131.5890	0.000	1	131.2343	1.175	7	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	133.3620	0.000	1	133.3620	0.000	1	133.3620	0.000	1	131.2343	1.175	7	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2{2|C<3>,2|C<4>,2|H<1>}	131.2000	0.380	2	130.7183	0.386	4	130.7378	0.292	5	131.2343	1.175	7	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]2){2|C<3>,2|O<1>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2{2|C<3>,2|C<4>,2|H<1>}	130.2365	0.293	2	130.7183	0.386	4	130.7378	0.292	5	131.2343	1.175	7	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	130.8160	0.000	1	130.8160	0.000	1	130.7378	0.292	5	131.2343	1.175	7	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6,6a]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){4|C<3>,4|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){3|H<1>,4|C<3>,4|C<4>}	128.7280	0.000	1	128.7280	0.000	1	127.2530	4.351	2	127.2530	4.351	2	128.6406	7.683	48	130.2205	6.503	203
818	727	762	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5,6]-4:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6,6a]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6])	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]C[6]){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5]C[5,5,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H){2|H<1>,4|C<4>,6|C<3>}	125.7780	0.000	1	125.7780	0.000	1	127.2530	4.351	2	127.2530	4.351	2	128.6406	7.683	48	130.2205	6.503	203
818	727	762	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[6,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5]C[6]Mo)(C[6,6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6]){1|Mo<10>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	122.3802	3.684	5	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[6,6]	3:4:3:	3:3:3:	3:4:4:	C[5,6,6a]-3:C[5,6]-4:C[6,6]-3:	C[5,6,6]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2){1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6,6a](C[5,6,6]C[5,6]C[6,6])(C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.5220	0.051	4	121.5220	0.003	4	121.5220	0.003	4	121.5220	0.003	4	122.3802	3.684	5	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6,6]C[3x6]C[6]){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[6,6]){9|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	117.7233	0.364	3	117.7233	0.133	3	117.6484	0.756	8	117.6484	0.756	8	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	116.7880	0.000	1	117.6034	1.250	5	117.6484	0.756	8	117.6484	0.756	8	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	117.8072	1.179	4	117.6034	1.250	5	117.6484	0.756	8	117.6484	0.756	8	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5,5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.5370	0.000	1	119.5370	0.000	1	119.5370	0.000	1	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[4,6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6])	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[4,6]C[6a])(C[5,6]C[5,6a]C[6]){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	121.1912	0.118	6	121.1912	0.014	6	121.1912	0.014	6	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]2H)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.5960	0.000	1	120.5960	0.000	1	120.0838	0.153	4	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	119.8360	0.272	2	119.8360	0.074	2	120.0838	0.153	4	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6a]N[6]N)(H){1|N<3>,1|O<1>,5|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.0838	0.153	4	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){1|O<1>,4|C<3>}	121.0237	0.642	3	120.7078	0.193	9	120.7078	0.193	9	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[6]CC)(H){2|H<1>,4|C<3>}	120.5498	0.232	6	120.7078	0.193	9	120.7078	0.193	9	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-4:H-1:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]N[5])(C[6]C[5a,6]CC)(H){5|C<3>}	119.6560	0.000	1	119.6560	0.000	1	119.6560	0.000	1	120.6212	0.368	21	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-2:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<2>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|P<3>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	119.7044	2.351	32	119.9958	3.392	38
818	727	762	6:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[6]-3:O-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HO)(C[6]C[6]O){1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	119.7044	2.351	32	119.9958	3.392	38
818	727	770	0:SP2_SP2_SP2	C[5]	C[5,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	B(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	130.8180	0.000	1	130.8180	0.000	1	130.8180	0.000	1	130.8180	0.000	1	130.8180	0.000	1	130.8180	0.000	1
818	727	778	5:SP2_SP2_SPD5	C[5]	C[5,6a]	C[3x3,4,4x5,14x6]	5:3:1:	3:3:3:	6:6:6:6:3:	C[3x3,4,4x5,14x6]-5:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	B[5x3,5x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:C[5]-3:	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H)	C[3x3,4,4x5,14x6](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[5,6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,17x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]B[5x3,5x5,17x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[5]C[5,6a]O)	C[5](C[3x3,4,4x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]B[5x3,5x5,17x6])(C[5,6a]C[5,6a]C[6a])(O){1|C<5>,2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	C[3x3,4,4x5,14x6](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]C[5,6a])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,17x6]H)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]B[5x3,5x5,17x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(C[5]C[5,6a]O){1|B<6>,2|C<3>,6|H<1>}	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1
818	727	786	5:SP2_SP2_SP3	C[5]	C[5,6a]	B[5]	3:4:3:	3:3:3:	3:3:3:3:	C[5,6a]-3:B[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C){1|N<3>,2|H<1>,3|C<3>}	B[5](C[5]C[5,6a]C)2(C[6a]C[6a]2)(N[6]C[6]2){1|C<4>,3|H<1>,6|C<3>}	103.9695	0.170	2	103.9695	0.029	2	103.9695	0.029	2	103.9695	0.029	2	103.9695	0.029	2	103.9695	0.029	2
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,5a]	Cl	3:3:1:	3:3:3:	3:	C[5,5a]-3:C[5]-3:Cl-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl)	Cl(C[5]C[5,5a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl){1|Cl<1>,1|O<1>,2|C<3>}	Cl(C[5]C[5,5a]C[5])	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	Cl(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|C<3>,2|H<1>}	Cl(C[5]C[5,6a]N[5])	123.9365	0.016	2	122.6877	2.127	4	122.6877	2.127	4	122.6877	2.127	4	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	Cl(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|Cl<1>,1|C<3>,2|H<1>}	Cl(C[5]C[5,6a]N[5])	121.7070	0.000	1	122.6877	2.127	4	122.6877	2.127	4	122.6877	2.127	4	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[5]-2:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	Cl(C[5]C[5,6a]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(Cl){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){3|Cl<1>,1|C<3>,1|H<1>}	Cl(C[5]C[5,6a]N[5])	121.1710	0.000	1	122.6877	2.127	4	122.6877	2.127	4	122.6877	2.127	4	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5,5])	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	Cl(C[5]C[5,6a]C[5,5])	118.8400	0.000	1	118.8400	0.000	1	118.5875	0.128	2	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5,5])	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	Cl(C[5]C[5,6a]C[5,5])	118.3350	0.000	1	118.3350	0.000	1	118.5875	0.128	2	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[4,5]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[4,5])	C[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2)(Cl){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	Cl(C[5]C[5,6a]C[4,5])	121.8815	0.596	2	121.8815	0.355	2	121.8815	0.355	2	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	Cl(C[5]C[5,6a]C[5,6])	122.4410	0.000	1	122.4410	0.000	1	120.7750	5.551	2	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	Cl(C[5]C[5,6a]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Cl(C[5]C[5,6a]C[5,6])	119.1090	0.000	1	119.1090	0.000	1	120.7750	5.551	2	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	790	0:SP2_SP-NON_SP2	C[5]	C[5,6a]	Cl	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl)	Cl(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl){2|H<1>,4|C<3>}	Cl(C[5]C[5,6a]C[5])	118.5340	0.000	1	118.5340	0.000	1	118.5340	0.000	1	120.1460	3.384	7	121.0703	4.313	11	121.2311	4.231	12
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,5a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	N[5,5a]-3:C[5,5a]-3:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O)	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5a]C[5,5a]N[5a])(O){1|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)(C[5]N[5,5a]O){4|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]O){1|H<1>,1|N<3>,4|C<3>}	101.7100	0.000	1	101.7100	0.000	1	101.7100	0.000	1	101.7100	0.000	1	101.7100	0.000	1	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]C){4|C<3>}	103.6073	0.401	3	103.6073	0.161	3	103.8139	0.134	8	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|C<4>,3|C<3>}	103.6340	0.000	1	103.8530	0.096	2	103.8139	0.134	8	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){2|C<3>,2|H<1>}	104.0720	0.000	1	103.8530	0.096	2	103.8139	0.134	8	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(C[5a]N[5a]O){1|H<1>,3|C<3>}	103.5530	0.000	1	103.5530	0.000	1	103.8139	0.134	8	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]O)(C[5a]C[5a]H){1|H<1>,2|C<3>}	104.2150	0.044	2	104.2150	0.002	2	103.8139	0.134	8	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]O){2|H<1>,4|C<3>}	104.7540	0.000	1	104.7540	0.000	1	104.7540	0.000	1	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	813	5:SP2_SP2_SP2	C[5]	C[5,6a]	N[5,5a]	3:3:1:	3:3:3:	3:3:3:	N[5,5a]-3:C[5,6a]-3:S-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S)	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]N[5,6a]C[6a])(S){1|C<4>,1|N<2>,4|C<3>}	C[5,6a](N[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]S)(C[6a]C[6a]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,6a]N[5a])(C[5]C[5,6a]S){1|H<1>,4|C<3>}	102.9270	0.000	1	102.9270	0.000	1	102.9270	0.000	1	103.8192	0.290	10	103.8192	0.290	10	103.6275	0.665	11
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	139.2645	0.371	2	139.2645	0.138	2	139.2587	2.118	6	139.1044	16.248	10	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	140.8710	0.129	2	140.8710	0.017	2	139.2587	2.118	6	139.1044	16.248	10	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	137.6405	0.035	2	137.6405	0.001	2	139.2587	2.118	6	139.1044	16.248	10	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]Se[5]2)(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	133.0590	0.214	2	133.0590	0.046	2	133.0590	0.046	2	139.1044	16.248	10	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:N[5,5]-3:	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	144.6870	0.163	2	144.6870	0.026	2	144.6870	0.026	2	139.1044	16.248	10	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){1|Si<4>,2|C<4>,4|C<3>}	135.0425	0.192	2	134.5118	1.886	4	134.5118	1.886	4	134.5118	1.886	4	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]Si[5])(Si[5]C[5,5]CC){2|C<4>,5|C<3>}	133.9810	2.120	2	134.5118	1.886	4	134.5118	1.886	4	134.5118	1.886	4	137.7922	16.319	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6])(C[6]C[6,6a]O){1|H<1>,7|C<3>}	140.9280	0.000	1	140.9280	0.000	1	140.9280	0.000	1	140.9280	0.000	1	140.9280	0.000	1	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:O[5]-2:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(O[5]C[5])(CCCO){2|C<4>,3|C<3>}	144.6130	0.000	1	144.6130	0.000	1	144.6130	0.000	1	144.6130	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:N[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]N[5,5])(N[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	145.5590	0.000	1	145.5590	0.000	1	145.5590	0.000	1	145.5590	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(O[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	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>}	144.5230	0.000	1	144.5230	0.000	1	144.5230	0.000	1	144.5230	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	140.9640	0.000	1	140.9640	0.000	1	140.9640	0.000	1	137.8660	19.565	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){2|H<1>,7|C<3>}	139.6910	0.000	1	139.6910	0.000	1	139.6910	0.000	1	137.8660	19.565	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(N[5]C[5]S){4|H<1>,5|C<3>}	142.3990	0.000	1	142.3990	0.000	1	142.3990	0.000	1	137.8660	19.565	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]Se[5])(C[6a]C[6a]2){1|Se<2>,2|H<1>,6|C<3>}	132.9410	0.000	1	132.9410	0.000	1	132.9410	0.000	1	137.8660	19.565	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	133.3350	0.000	1	133.3350	0.000	1	133.3350	0.000	1	137.8660	19.565	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:Si-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	141.5005	1.156	2	141.5005	1.337	2	141.5005	1.337	2	142.0035	0.818	4	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,5|C<3>}	142.5065	0.323	2	142.5065	0.104	2	142.5065	0.104	2	142.0035	0.818	4	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){2|H<1>,5|C<3>}	140.5480	0.000	1	140.5480	0.000	1	140.5480	0.000	1	140.5480	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|P<4>,2|H<1>,7|C<3>}	137.5810	0.000	1	137.5810	0.000	1	137.5810	0.000	1	140.2233	6.144	3	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	141.5445	1.347	2	141.5445	1.815	2	141.5445	1.815	2	140.2233	6.144	3	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5,5]C[5,6a]N[5,5])(C[5,6]C[5,6]C[6]H)(CCHH){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	138.4630	0.000	1	138.4630	0.000	1	138.4630	0.000	1	138.4630	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[5,5]C[5]2C){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){3|C<4>,5|C<3>,8|H<1>}	135.6750	0.000	1	135.6750	0.000	1	135.6750	0.000	1	135.6750	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[3x5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:O[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[3x5])(C[6a]C[6a]2)(O[5]C[5,5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(C[5]C[6a]O[5]){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	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>}	138.8760	0.000	1	138.8760	0.000	1	138.8760	0.000	1	138.8760	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	137.0740	0.000	1	137.0740	0.000	1	137.0740	0.000	1	138.2824	5.793	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	140.8735	0.158	2	140.8735	0.025	2	140.8735	0.025	2	138.2824	5.793	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	136.2955	0.603	2	136.2955	0.364	2	136.2955	0.364	2	138.2824	5.793	5	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	139.5010	0.000	1	139.5010	0.000	1	139.4930	0.000	2	139.4930	0.000	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]O[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	139.4850	0.000	1	139.4850	0.000	1	139.4930	0.000	2	139.4930	0.000	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]O[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	140.8230	0.000	1	140.8230	0.000	1	138.6538	3.382	5	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5,6]C[6]C)(H){1|N<3>,1|S<2>,3|C<3>,4|H<1>}	135.7370	0.000	1	135.7370	0.000	1	138.6538	3.382	5	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<2>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	139.1400	0.000	1	138.9030	0.064	3	138.6538	3.382	5	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){1|H<1>,3|C<3>,4|C<4>}	138.9320	0.000	1	138.9030	0.064	3	138.6538	3.382	5	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5,6]H){2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6]C[5]O[6]2)(H){2|H<1>,3|C<3>,3|C<4>}	138.6370	0.000	1	138.9030	0.064	3	138.6538	3.382	5	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]H){1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	139.5610	0.000	1	139.5610	0.000	1	139.5610	0.000	1	138.8050	2.843	6	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[6a]C[5]){2|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){3|H<1>,3|O<2>,6|C<3>}	139.5530	0.000	1	139.5530	0.000	1	139.5530	0.000	1	139.5530	0.000	1	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	135.0690	2.881	2	134.4683	5.232	3	134.4683	5.232	3	136.0460	13.444	4	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H)	C[5,5](C[5,5,6,6]C[6,6]N[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5,6,6]C[5,6a])(C[5]N[5,6]O)(H){1|N<3>,2|C<3>,2|C<4>}	133.2670	0.000	1	134.4683	5.232	3	134.4683	5.232	3	136.0460	13.444	4	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:H-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(H){1|H<1>,1|O<2>,4|C<3>}	140.7790	0.000	1	140.7790	0.000	1	140.7790	0.000	1	136.0460	13.444	4	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:2:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:O-2:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC){1|H<1>,1|O<2>,4|C<3>}	142.6730	0.000	2	142.6730	0.000	2	142.6730	0.000	2	142.6730	0.000	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[6a]-3:	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5,6]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	137.2810	1.332	2	137.2810	1.775	2	137.2810	1.775	2	137.2810	1.775	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:1:	P[5,5,6]-5:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	135.9820	0.000	1	135.9820	0.000	1	135.9820	0.000	1	135.3985	0.681	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:1:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	134.8150	0.000	1	134.8150	0.000	1	134.8150	0.000	1	135.3985	0.681	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	5:3:3:	3:3:3:	3:3:3:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){10|C<3>,1|H<1>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	133.9580	1.765	2	133.9580	3.115	2	133.9580	3.115	2	133.9580	3.115	2	138.9302	11.137	45	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	136.4390	0.000	1	136.4390	0.000	1	136.5870	0.293	6	136.5870	0.293	6	136.5870	0.293	6	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	136.8470	0.355	4	136.6166	0.360	5	136.5870	0.293	6	136.5870	0.293	6	136.5870	0.293	6	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5])(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	135.6950	0.000	1	136.6166	0.360	5	136.5870	0.293	6	136.5870	0.293	6	136.5870	0.293	6	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	134.3710	0.000	1	134.3710	0.000	1	134.0035	0.270	2	135.3678	1.363	6	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl){1|C<4>,6|C<3>}	133.6360	0.000	1	133.6360	0.000	1	134.0035	0.270	2	135.3678	1.363	6	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	136.3930	0.461	2	136.0500	0.320	4	136.0500	0.320	4	135.3678	1.363	6	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	135.7070	0.528	2	136.0500	0.320	4	136.0500	0.320	4	135.3678	1.363	6	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	132.3620	0.000	1	132.3620	0.000	1	132.3620	0.000	1	131.6630	0.977	2	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	130.9640	0.000	1	130.9640	0.000	1	130.9640	0.000	1	131.6630	0.977	2	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	130.7755	0.654	2	130.7755	0.428	2	130.2033	1.196	3	130.9666	1.423	8	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	129.0590	0.000	1	129.0590	0.000	1	130.2033	1.196	3	130.9666	1.423	8	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	131.5910	1.137	2	131.5910	1.293	2	131.9997	1.147	3	130.9666	1.423	8	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	132.8170	0.000	1	132.8170	0.000	1	131.9997	1.147	3	130.9666	1.423	8	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	130.5620	0.007	2	130.5620	0.000	2	130.5620	0.000	2	130.9666	1.423	8	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	132.8490	0.000	1	132.8490	0.000	1	132.8490	0.000	1	132.8490	0.000	1	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	131.3400	0.000	1	131.3400	0.000	1	131.3400	0.000	1	132.3216	0.359	7	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	132.4852	0.454	6	132.4852	0.206	6	132.4852	0.206	6	132.3216	0.359	7	132.5986	3.895	24	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5](C[5,6]C[5a,6]C[5,6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	129.9910	0.000	1	129.9910	0.000	1	129.9910	0.000	1	135.1800	9.315	5	135.1800	9.315	5	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5a,6]-3:C[5,6]-3:N[5a]-3:	C[5,6]-3:C[5]-3:H-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C)	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5a,6]N[5,6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	135.7205	0.738	2	135.7205	0.544	2	135.7205	0.544	2	135.1800	9.315	5	135.1800	9.315	5	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	C[5,6]-3:N[5,6a]-3:H-1:	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H)	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5a,6]N[5,6])(N[5,6a]C[5,6a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,3|C<3>}	137.2340	0.877	2	137.2340	0.769	2	137.2340	0.769	2	135.1800	9.315	5	135.1800	9.315	5	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5a]	C[5,6]	4:3:3:	3:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]H)(C[5a]C[5a]2){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]C[5a])(H){1|C<4>,2|H<1>,3|C<3>}	131.0930	0.000	1	131.0930	0.000	1	131.0930	0.000	1	131.0930	0.000	1	131.1060	0.000	2	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5,6]	C[5a]	C[5,6]	4:3:3:	3:3:3:	4:3:4:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,6]-3:C[5a]-3:C[5a]-3:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	C[5a](C[5,6]C[5,5,6]C[5,6])(C[5a]C[5a]P)(C[5a]S[5a]C){1|P<4>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[5a])(PC[6a]2Rh){2|C<3>,2|H<1>,4|C<4>}	131.1190	0.000	1	131.1190	0.000	1	131.1190	0.000	1	131.1190	0.000	1	131.1060	0.000	2	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	130.8505	0.536	22	130.8505	0.287	22	130.8505	0.287	22	130.8505	0.287	22	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a])	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5,5a]){2|S<2>,4|C<3>}	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2{3|C<3>,3|S<2>}	124.9900	0.066	2	124.9900	0.004	2	125.2917	0.275	3	125.2917	0.275	3	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a])	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]C[5])(S[5a]C[5a,5a]){3|C<3>,3|S<2>}	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2{3|C<3>,3|S<2>}	125.8950	0.000	1	125.8950	0.000	1	125.2917	0.275	3	125.2917	0.275	3	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	126.9725	0.665	2	126.9725	0.443	2	126.5109	0.491	7	126.5109	0.491	7	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	126.9340	0.000	1	126.9340	0.000	1	126.5109	0.491	7	126.5109	0.491	7	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,4|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	126.6980	0.543	2	126.6980	0.295	2	126.5109	0.491	7	126.5109	0.491	7	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:4:2:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	125.6505	0.227	2	125.6505	0.052	2	126.5109	0.491	7	126.5109	0.491	7	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]N[5])(C[5]C[5]HH){1|Ni<4>,1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[5a]Ni)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.3485	0.460	2	119.3485	0.212	2	119.3485	0.212	2	119.3485	0.212	2	128.7900	10.742	34	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|S<2>,5|C<3>}	128.8920	0.547	2	128.8920	0.300	2	128.8920	0.300	2	129.5385	0.820	4	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,6|C<3>}	130.1850	0.700	2	130.1850	0.490	2	130.1850	0.490	2	129.5385	0.820	4	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	135.1500	0.000	1	135.1500	0.000	1	135.1500	0.000	1	135.4230	0.149	2	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5])2{9|C<3>}	135.6960	0.000	1	135.6960	0.000	1	135.6960	0.000	1	135.4230	0.149	2	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(N[5]S[5]){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]N[5])(C[5]C[6a]C[5]H)(C[5]N[5]H){1|H<1>,1|S<4>,6|C<3>}	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	125.3400	0.000	1	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]O[5])(C[5]C[6a]C[5]O)2{9|C<3>}	134.1330	0.000	1	134.1330	0.000	1	134.1330	0.000	1	134.1330	0.000	1	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,5a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(C[5]S[5]2){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	C[5](C[5]C[5,5a]C[5,6a])(S[5]C[5])2{3|C<3>,3|S<2>}	130.0427	0.198	3	130.0427	0.039	3	130.0427	0.039	3	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,6])(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5](C[5]C[5,6a]C[5,6])(S[5]C[5])2{2|S<2>,4|C<3>}	126.9410	0.000	1	126.9410	0.000	1	126.9410	0.000	1	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	C[5](C[5]C[5,6a]2)(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[5,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	127.1830	0.148	2	127.1830	0.022	2	126.7713	0.171	23	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	C[5](C[5]C[5,6a]2)(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,2|S<2>,4|C<3>}	C[5](C[5]C[5,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	126.6580	0.000	1	126.6580	0.000	1	126.7713	0.171	23	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]2)(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	C[5](C[5]C[5,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	126.5936	0.401	9	126.5936	0.161	9	126.7713	0.171	23	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]2)(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]S[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[5](C[5]C[5,6a]2)(S[5]C[5])2{2|S<2>,4|C<3>}	126.8521	0.417	11	126.8521	0.174	11	126.7713	0.171	23	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(S[5]C[5])2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[5]C[5,6a]C[5])(S[5]C[5])2{1|N<3>,1|O<1>,4|C<3>}	130.8730	0.000	1	130.8730	0.000	1	130.8730	0.000	1	127.2743	1.693	28	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]N[5]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]2)(C[5]C[5,6]N)(N[5]C[5,6]){1|C<4>,6|C<3>}	127.2275	5.445	2	127.2275	29.653	2	127.2275	29.653	2	129.7817	41.884	4	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(O[5]C[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	126.4240	0.000	1	126.4240	0.000	1	126.4240	0.000	1	129.7817	41.884	4	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[6a]N[5])(S[5]N[5]){1|N<3>,1|O<1>,5|C<3>}	138.2480	0.000	1	138.2480	0.000	1	138.2480	0.000	1	129.7817	41.884	4	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){2|C<4>,8|C<3>}	126.6917	0.207	4	126.6917	0.043	4	126.6917	0.043	4	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	126.3990	0.014	2	126.3990	0.000	2	128.0252	3.869	4	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	129.6515	1.013	2	129.6515	1.027	2	128.0252	3.869	4	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	123.3420	0.127	2	123.3420	0.016	2	129.7342	24.558	6	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	132.7750	0.235	2	132.9303	0.065	4	129.7342	24.558	6	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	133.0855	0.209	2	132.9303	0.065	4	129.7342	24.558	6	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	130.5915	0.043	2	130.5915	0.002	2	130.5915	0.002	2	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Os)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Br<1>,1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	137.9130	0.000	1	137.9130	0.000	1	137.5335	0.288	2	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]Ru)(C[5]N[5]2){1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	137.1540	0.000	1	137.1540	0.000	1	137.5335	0.288	2	129.6402	18.029	18	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	127.3945	0.408	2	127.5325	0.320	4	127.5325	0.320	4	128.1230	4.341	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	127.6705	0.846	2	127.5325	0.320	4	127.5325	0.320	4	128.1230	4.341	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	125.2470	0.000	1	127.5335	10.456	2	127.5335	10.456	2	128.1230	4.341	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(C[5]C[5,6a]2)(C[5]C[5]HO){3|C<4>,6|C<3>}	129.8200	0.000	1	127.5335	10.456	2	127.5335	10.456	2	128.1230	4.341	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	131.6640	0.000	1	131.6640	0.000	1	131.6640	0.000	1	128.1230	4.341	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	127.6791	3.441	12	127.6791	11.841	12	127.6014	9.930	16	127.4045	9.480	21	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2){2|H<1>,9|C<3>}	127.3683	2.477	4	127.3683	6.137	4	127.6014	9.930	16	127.4045	9.480	21	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]2)(C[5]C[5]HH)(C[5]N[5]H){2|H<1>,4|C<3>}	126.0885	1.207	2	126.0885	1.457	2	126.0885	1.457	2	127.4045	9.480	21	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	129.6475	0.076	2	129.6475	0.006	2	129.6475	0.006	2	127.4045	9.480	21	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(S[5]C[5]OO)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	122.4000	0.000	1	122.4000	0.000	1	122.4000	0.000	1	127.4045	9.480	21	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	133.0780	0.000	1	133.0780	0.000	1	133.0780	0.000	1	133.0780	0.000	1	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){3|C<4>,4|C<3>}	126.3495	0.146	2	126.3495	0.021	2	126.3495	0.021	2	126.3495	0.021	2	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	127.4940	8.377	6	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]2){1|O<2>,1|S<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O){3|C<4>,4|C<3>}	125.2643	2.408	3	125.2643	5.800	3	125.2643	5.800	3	127.4940	8.377	6	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	129.2220	0.000	1	129.6960	0.449	2	129.6960	0.449	2	127.4940	8.377	6	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){2|C<4>,3|H<1>,6|C<3>}	130.1700	0.000	1	129.6960	0.449	2	129.6960	0.449	2	127.4940	8.377	6	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]C[5]2){1|C<4>,1|O<2>,4|F<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	128.0460	0.000	1	128.0460	0.000	1	128.0460	0.000	1	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	126.7728	1.265	16	126.7728	1.601	16	128.0283	5.256	29	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	127.1500	0.042	2	128.4275	3.647	8	128.0283	5.256	29	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	128.8533	2.058	6	128.4275	3.647	8	128.0283	5.256	29	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	132.2420	0.184	4	132.2420	0.034	4	128.0283	5.256	29	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[6a]2O[5]){1|C<4>,1|H<1>,2|F<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]FF){1|O<2>,2|F<1>,7|C<3>}	128.0690	0.000	1	128.0690	0.000	1	128.0283	5.256	29	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){2|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	131.4699	2.337	10	131.4699	5.462	10	131.4699	5.462	10	128.8892	7.311	40	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	124.7920	0.792	4	124.3975	0.796	6	124.3975	0.796	6	126.3165	13.198	8	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,2|H<1>,8|C<3>}	123.6085	0.482	2	124.3975	0.796	6	124.3975	0.796	6	126.3165	13.198	8	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]H)(C[5]C[5,6a]2){2|H<1>,9|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]2){5|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]C[5]){1|C<4>,3|H<1>,7|C<3>}	132.0735	0.152	2	132.0735	0.023	2	132.0735	0.023	2	126.3165	13.198	8	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,3|C<4>,3|H<1>}	124.9210	0.383	2	124.9510	0.076	3	126.7869	3.005	7	126.7869	3.005	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,3|C<3>,3|C<4>}	125.0110	0.000	1	124.9510	0.076	3	126.7869	3.005	7	126.7869	3.005	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	128.1637	0.247	4	128.1637	0.061	4	126.7869	3.005	7	126.7869	3.005	7	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]C[5]2){4|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	129.7970	0.000	1	129.7970	0.000	1	129.7970	0.000	1	129.7970	0.000	1	128.2868	9.797	151	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:2:	3:3:2:	3:3:2:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,5]-3:C[5]-3:Se[5]-2:	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5])	C[5](C[5,5]C[5,5]Se[5])(C[5a]C[5a]S[5a])(Se[5]Se[5]){1|Se<2>,1|H<1>,3|C<3>}	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|Se<2>,1|C<3>,2|H<1>}	C[5,5](C[5,5]Se[5]C[5])(C[5]C[5a]Se[5])(Se[5]Se[5]){1|S<2>,2|C<3>}	130.4290	0.000	1	130.4290	0.000	1	130.4290	0.000	1	130.4290	0.000	1	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:2:	3:3:2:	3:3:4:	C[5,5]-3:C[5a]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5])	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(Se[5]C[5]){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]Se[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5]C[5a]Se[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	130.1550	0.535	4	130.1550	0.286	4	130.1550	0.286	4	130.0616	0.258	5	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:C[5,5]-3:Si[5]-2:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a])	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5a]C[5,5a]S[5a])(C[5,5]C[5,5]C[5])(Si[5]C[5]){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5]C[5,5]Si[5])(S[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5]C[5a]Si[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	129.6880	0.000	1	129.6880	0.000	1	129.6880	0.000	1	130.0616	0.258	5	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:3:	3:3:2:	4:3:4:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6]-4:C[5]-3:C[5,5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5a]C[5])(C[5,5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	128.2540	0.227	4	128.2540	0.052	4	128.2540	0.052	4	128.2540	0.052	4	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2)	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	123.2990	0.000	1	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:4:	3:3:2:	3:3:4:	C[5,5]-3:C[5a]-3:P[5]-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O)	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5])(C[5a]C[5a]N[5a])(P[5]C[6a]C[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5]C[5,5]P[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,4|C<3>}	C[5,5](C[5]C[5a]P[5])(C[5,5]C[5]2)(C[5]C[5]HH){1|N<2>,1|O<1>,3|C<3>,4|H<1>}	129.5490	0.280	2	129.5490	0.078	2	129.5490	0.078	2	129.5490	0.078	2	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,5]	3:3:4:	3:3:3:	3:3:2:	C[5,5]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5,5]-3:N[5]-2:	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])(C[5a]C[5a]N[5a])(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5a]C[5])(C[5,5]C[5]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	128.5709	5.254	14	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5a]-3:P[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5])	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]P[5]){2|C<4>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|P<3>,1|S<2>,2|C<3>,4|H<1>}	129.2647	1.052	8	129.2647	1.107	8	129.2647	1.107	8	129.1133	0.988	10	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5,6]-3:P[5]-3:	C[5a,6]-3:C[5]-3:S[5a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5])	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5a]C[5a,6]S[5a])(C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5]C[5,6]P[5])(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	128.5075	0.473	2	128.5075	0.224	2	128.5075	0.224	2	129.1133	0.988	10	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5]C[5a]C[5])(C[6]C[6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	128.7620	0.000	1	128.7620	0.000	1	128.7620	0.000	1	128.7620	0.000	1	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|O<2>,4|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	127.4080	0.000	1	127.4080	0.000	1	127.4080	0.000	1	127.4080	0.000	1	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	127.8705	0.127	2	127.8705	0.016	2	128.6433	1.800	3	124.5629	15.524	7	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5a](C[5]C[5,5a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	130.1890	0.000	1	130.1890	0.000	1	128.6433	1.800	3	124.5629	15.524	7	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|O<2>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni){1|C<4>,1|N<3>,4|C<3>}	121.9290	1.147	2	121.9290	1.315	2	121.5025	0.710	4	124.5629	15.524	7	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5,6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	121.0760	0.296	2	121.0760	0.087	2	121.5025	0.710	4	124.5629	15.524	7	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:4:	3:3:2:	3:3:4:	C[5,6]-3:C[5a]-3:P[5]-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd)	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]S[5a])(P[5]C[5]C[6]Pd){3|C<3>,4|C<4>,4|H<1>}	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Pd<4>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	130.3890	0.000	1	130.3890	0.000	1	130.3890	0.000	1	130.3890	0.000	1	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5,6]-3:C[5a]-3:C[5]-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	128.8320	0.000	1	128.8320	0.000	1	128.8320	0.000	1	128.8320	0.000	1	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5,6]	3:4:3:	3:3:2:	3:3:4:	C[5,6]-3:P[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Os)(C[5a]C[5a]S[5a]){2|C<4>,3|H<1>,5|C<3>}	C[5a](C[5]C[5,6]P[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Os<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5a]P[5])(C[6]C[6]HH){1|Os<4>,1|C<4>,1|S<2>,3|C<3>,4|H<1>}	128.7830	2.456	4	128.7830	6.032	4	128.7830	6.032	4	128.7830	6.032	4	127.7438	9.307	25	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:2:3:	3:3:2:	3:3:4:	C[5a]-3:O[5]-2:C[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C)	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5a]O[5])(C[5]C[5,5]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	132.5825	0.595	2	132.5825	0.354	2	132.5825	0.354	2	132.5825	0.354	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:2:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:N-2:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5])	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2	C[5](C[5]C[5a]N[5])(N[5]N[5])(NN)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5]){1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2{1|H<1>,3|N<2>}	C[5](C[5]C[5a]N[5])(N[5]N[5])(NN){2|N<2>}	128.6620	0.000	1	128.6620	0.000	1	128.6620	0.000	1	128.6620	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:2:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(N[5]N[5])(NOO)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]N[5]){1|C<3>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,3|N<2>}	C[5](C[5]C[5a]N[5])(N[5]N[5])(NOO){2|N<2>}	133.5000	0.000	1	133.5000	0.000	1	133.5000	0.000	1	133.5000	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:N[5a]-2:S[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(N[5a]N[5a])(S[5a]C[5a])	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5]Se[5]C[5])(N[5a]N[5a])(S[5a]C[5a]){1|H<1>,3|C<3>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>}	129.9755	1.114	2	129.9755	1.240	2	129.9755	1.240	2	129.9755	1.240	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:O[5a]-2:	C[5]-3:N[5]-3:C-2:	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN)	C[5](C[5a]N[5a]O[5a])(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CN){1|N<2>,1|O<2>}	126.9140	0.000	1	126.9140	0.000	1	126.9140	0.000	1	126.9140	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:3:	C[5]-3:C[5a]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[5]N[5]2)(N[5]O[5]O){4|N<2>}	133.0860	0.000	1	133.0860	0.000	1	133.0860	0.000	1	133.0860	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:2:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3)	C[5](C[5a]N[5a]2)(C[5]N[5]C)(N[5]O[5]){1|C<3>,1|O<1>,1|O<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5])(N[5]O[5]O)(CH3){2|N<2>}	127.8050	0.000	1	127.8050	0.000	1	127.8050	0.000	1	127.8050	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(C[5]C[5]S[5]){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	122.7590	0.437	2	122.7590	0.191	2	122.7590	0.191	2	122.7590	0.191	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:Se[5]-2:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]N[5])(Se[5]N[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]Se[5]H)(N[5]N[5]){1|H<1>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|Se<2>,1|N<2>,2|H<1>}	C[5](C[5]C[5a]N[5])(Se[5]N[5])(H){1|C<3>,1|S<2>}	128.0030	0.000	1	128.0030	0.000	1	128.0030	0.000	1	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-2:Cl-1:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a])	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]Cl)(S[5]S[5]){1|Cl<1>,1|C<3>,1|N<2>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]Cl)(S[5a]N[5a]){2|Cl<1>,1|N<2>,1|S<2>}	C[5](C[5]C[5a]S[5])(N[5]S[5])(Cl){1|C<3>,1|S<2>}	127.5570	0.651	2	127.5570	0.423	2	127.5570	0.423	2	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|S<2>,2|C<3>}	127.9170	0.000	1	126.8493	1.079	3	126.3684	1.013	5	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|S<2>,2|C<3>}	126.3155	0.670	2	126.8493	1.079	3	126.3684	1.013	5	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]S[5]H)(S[5]C[5]){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|S<2>,2|C<3>}	125.6470	0.400	2	125.6470	0.160	2	126.3684	1.013	5	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|C<3>,1|N<2>,1|N<3>}	128.4870	0.000	1	128.0987	0.471	8	128.0987	0.471	8	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]N[5a]2)(C[5]S[5]H)(S[5]C[5]){1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|C<3>,1|N<2>,1|N<3>}	128.0433	0.722	7	128.0987	0.471	8	128.0987	0.471	8	127.4843	1.154	16	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]S[5])(C[5]C[5]2)(H){1|O<1>,1|S<2>,3|C<3>}	129.0220	0.000	1	129.0220	0.000	1	128.0280	1.976	2	127.2577	1.356	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(S[5]C[5]){1|Cu<3>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5a]S[5])(C[5]C[5]H)(H){1|Cu<3>,1|C<3>,1|H<1>,1|S<2>}	127.0340	0.000	1	127.0340	0.000	1	128.0280	1.976	2	127.2577	1.356	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|Se<2>,1|C<3>,1|O<2>}	127.5430	1.051	2	127.5430	1.104	2	127.5430	1.104	2	127.2577	1.356	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:Se[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5])	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a])	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]S)(S[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5a]Se[5])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|S<2>}	126.2020	0.351	2	126.2020	0.123	2	126.2020	0.123	2	127.2577	1.356	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:N[5]-2:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|N<3>,1|O<1>,3|N<2>}	127.1020	0.469	3	127.1020	0.220	3	127.1020	0.220	3	127.6951	1.967	9	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[6a]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]O[5]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	128.8670	0.143	3	128.8670	0.020	3	128.8670	0.020	3	127.6951	1.967	9	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	128.2655	1.074	2	128.2655	1.154	2	127.1163	4.539	3	127.6951	1.967	9	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|O<1>,2|N<2>,2|O<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	124.8180	0.000	1	124.8180	0.000	1	127.1163	4.539	3	127.6951	1.967	9	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Re<6>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]S[5])(N[5]C[5]Re)(CCHH){1|S<2>,2|C<3>}	132.4485	0.718	2	132.4485	0.515	2	131.6747	2.054	3	131.6747	2.054	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	3:3:4:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]C)(S[5]C[5]){1|Ru<6>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]S[5])(N[5]C[5]Ru)(CH3){1|S<2>,2|C<3>}	130.1270	0.000	1	130.1270	0.000	1	131.6747	2.054	3	131.6747	2.054	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:2:	4:3:3:	C[5]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:S[5a]-2:	C[4,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2)	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5,6]C[4,5,6]C[4]O[6])(C[5]C[5a]O[5])(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	132.9600	0.000	1	132.9600	0.000	1	132.9600	0.000	1	132.9600	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5])	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	C[5](C[5]C[5a]S[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	C[5](C[5]C[5a]S[5])(S[5]C[5])(H){1|N<3>,2|C<3>}	132.2740	1.901	2	132.2740	3.613	2	132.2740	3.613	2	132.2740	3.613	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5])	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)(C[5]N[5]){1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|H<1>,2|N<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){1|H<1>,2|C<3>}	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){2|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]Br)(N[5a]C[5a]H){2|Br<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]Br)(Br){1|N<3>,2|C<3>}	135.9460	0.000	1	135.9460	0.000	1	132.7130	20.905	2	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Br)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(Br){1|N<3>,2|C<3>}	129.4800	0.000	1	129.4800	0.000	1	132.7130	20.905	2	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]Cl)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(Cl){1|N<3>,2|C<3>}	130.8340	0.000	1	130.8340	0.000	1	130.8340	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	128.4940	0.156	2	128.4940	0.024	2	127.6053	14.461	29	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>}	128.8410	0.000	1	127.7506	16.173	25	127.6053	14.461	29	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	126.6688	4.148	4	127.7506	16.173	25	127.6053	14.461	29	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	127.9124	4.168	20	127.7506	16.173	25	127.6053	14.461	29	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(H){1|N<3>,2|C<3>}	124.9000	0.000	2	124.9000	0.000	2	127.6053	14.461	29	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]O)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(O){1|C<3>,1|N<3>,1|S<1>}	127.3930	0.000	1	127.3930	0.000	1	127.3930	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Rh)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	128.7120	0.000	1	128.7120	0.000	1	128.7120	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,5a]-3:C[5a,6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a,5a]C[5a,6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]){1|F<1>,2|H<1>,6|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){3|C<3>}	127.5645	3.136	2	127.5645	9.835	2	127.5645	9.835	2	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,4|C<3>}	123.4980	0.000	2	123.4980	0.000	2	123.4980	0.000	2	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:C[5]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]C[5]N[5])(N[5a]C[5a]H){1|H<1>,6|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	129.2549	1.853	7	129.2549	3.434	7	129.2549	3.434	7	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[5]C[5]N[5]){1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,1|N<3>,3|C<3>}	125.0920	2.435	3	125.0920	5.930	3	125.0920	5.930	3	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){1|B<4>,2|H<1>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	125.6505	0.218	2	125.6505	0.048	2	128.4833	24.099	3	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	134.1490	0.000	1	134.1490	0.000	1	128.4833	24.099	3	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-2:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]C[5]H)(N[5]C[5]){2|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<3>,2|C<3>}	134.3750	0.000	1	134.3750	0.000	1	134.3750	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:S[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]S[5])(C[5a]S[5a]N){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,4|C<3>}	128.1750	0.000	1	128.1750	0.000	1	128.1750	0.000	1	127.9734	13.077	54	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){1|Cl<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC){1|N<3>,2|C<3>}	131.3520	0.000	1	131.3520	0.000	1	132.2575	1.640	2	128.3398	11.321	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]O)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]O)(N[5a]C[5a]H){2|O<2>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC){1|N<3>,2|C<3>}	133.1630	0.000	1	133.1630	0.000	1	132.2575	1.640	2	128.3398	11.321	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]N[5])(N[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	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>}	127.5090	0.000	1	127.5090	0.000	1	127.5090	0.000	1	128.3398	11.321	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	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>}	128.1960	0.000	1	128.1960	0.000	1	128.1960	0.000	1	128.3398	11.321	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-2:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a])	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|N<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	124.9095	0.146	2	124.9095	0.021	2	124.9095	0.021	2	128.3398	11.321	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	129.9510	0.000	1	129.9510	0.000	1	129.9510	0.000	1	129.9510	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	130.2386	4.393	5	130.2386	19.295	5	130.2770	10.636	10	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CH3){1|N<3>,2|C<3>}	131.1810	3.070	2	131.1810	9.426	2	130.2770	10.636	10	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCHH){1|N<3>,2|C<3>}	131.2650	0.000	1	131.2650	0.000	1	130.2770	10.636	10	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	127.7290	0.000	1	128.9750	3.105	2	130.2770	10.636	10	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	130.2210	0.000	1	128.9750	3.105	2	130.2770	10.636	10	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:N[5]-2:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5])	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(N[5]C[5]){1|Zn<5>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Zn)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5]C[5]C)(CCHH){1|N<3>,2|C<3>}	127.4860	0.857	3	127.4860	0.734	3	127.4860	0.734	3	129.6329	9.597	13	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5]-3:C[5a]-3:O[5]-2:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5])(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	133.9490	0.000	1	133.9490	0.000	1	133.9490	0.000	1	133.9490	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:O[5]-2:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-4:C[5]-3:C-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]O[5])(CN)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(O[5]C[5]){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5])(C[5a]N[5a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5a]O[5])(CN){1|H<1>,5|C<3>}	132.3496	0.131	5	132.3496	0.017	5	132.3496	0.017	5	132.3496	0.017	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-2:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]H)2{4|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	125.3528	1.468	4	125.3528	2.155	4	125.3528	2.155	4	125.3528	2.155	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO){1|O<1>,2|N<2>}	132.2570	0.000	1	133.1400	1.559	2	133.1400	1.559	2	133.1400	1.559	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO)	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5](C[5]C[5a]N[5])(N[5]O[5])(NOO){1|O<1>,2|N<2>}	134.0230	0.000	1	133.1400	1.559	2	133.1400	1.559	2	133.1400	1.559	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,1|S<2>,2|C<3>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2){1|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|O<2>,3|C<3>}	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	122.9754	5.456	11	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	125.1790	0.174	2	125.1790	0.030	2	124.7337	1.611	6	122.9754	5.456	11	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])2(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])2(H){2|S<2>,4|C<3>}	123.7105	0.185	2	123.7105	0.034	2	124.7337	1.611	6	122.9754	5.456	11	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)2{1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	125.3115	2.198	2	125.3115	4.833	2	124.7337	1.611	6	122.9754	5.456	11	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,1|S<2>,2|C<3>}	120.4915	0.983	4	120.4915	0.967	4	120.4915	0.967	4	122.9754	5.456	11	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2){1|H<1>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	129.9780	0.000	1	129.9780	0.000	1	129.9780	0.000	1	129.9700	4.921	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	126.9110	0.010	2	126.9110	0.000	2	127.6640	0.861	4	129.9700	4.921	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]C)(C[5]C[5]H){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O)(S[5a]C[5a])(C[5]C[5]2){3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	128.4170	0.560	2	128.4170	0.314	2	127.6640	0.861	4	129.9700	4.921	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]2)(C[5]O[5]O){1|C<2>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]O[5]O){1|O<1>,1|S<2>,3|C<3>}	131.2930	0.000	1	131.2930	0.000	1	131.2930	0.000	1	129.9700	4.921	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	131.9433	1.019	4	131.9433	1.038	4	131.9433	1.038	4	129.9700	4.921	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:S[5]-2:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a])	C[5](C[5]C[5a]N[5])(S[5]C[5])(H)	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5a]N[5])(S[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.5705	0.711	2	127.5705	0.505	2	127.5705	0.505	2	127.5705	0.505	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O){1|N<3>,1|S<2>,4|C<3>}	117.5970	0.000	1	117.5970	0.000	1	117.5970	0.000	1	125.2118	28.849	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]N[5a]O)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O){1|H<1>,1|S<2>,4|C<3>}	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	125.2118	28.849	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	127.3600	0.000	1	128.6873	1.329	3	128.6873	1.329	3	125.2118	28.849	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	129.3510	0.120	2	128.6873	1.329	3	128.6873	1.329	3	125.2118	28.849	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5a]N[5])(C[5]C[6]N[5])(H){1|Re<6>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	128.4650	0.000	1	128.4650	0.000	1	128.4650	0.000	1	125.2118	28.849	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<2>,2|N<2>,2|O<1>}	130.2825	0.353	2	132.7387	8.157	4	132.7387	8.157	4	131.4855	5.881	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,3|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[5]C[5]N[5])(N[5]O[5]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|N<3>}	135.1950	0.464	2	132.7387	8.157	4	132.7387	8.157	4	131.4855	5.881	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5]-2:	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|N<3>,1|O<1>,3|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]){1|N<3>,2|O<1>,3|N<2>}	131.8553	0.375	3	131.8553	0.141	3	131.8553	0.141	3	131.4855	5.881	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	130.1020	2.529	2	130.1020	6.394	2	129.4447	4.493	3	131.4855	5.881	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]){1|C<3>,1|O<1>,2|N<2>,2|O<2>}	128.1300	0.000	1	128.1300	0.000	1	129.4447	4.493	3	131.4855	5.881	10	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H){1|O<2>,3|C<3>}	129.5240	0.000	1	129.5240	0.000	1	129.5240	0.000	1	132.5990	18.911	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:N[5a]-3:N[5a]-2:	C[5]-3:N[5]-3:C[5]-3:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]Mn)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2)	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(N[5]C[5]Mn)(C[5]N[5]2){1|Mn<6>,1|N<3>,2|H<1>,3|N<2>}	135.6740	0.000	1	135.6740	0.000	1	135.6740	0.000	1	132.5990	18.911	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|O<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	125.2200	0.000	1	125.2200	0.000	1	125.2200	0.000	1	127.7832	11.875	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5a]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|O<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]C)(S[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<2>,5|C<3>}	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	127.7832	11.875	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:N[5]-3:C-4:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(CH3){1|C<3>,1|C<4>,2|O<2>}	131.9510	0.000	1	131.9510	0.000	1	131.9510	0.000	1	127.7832	11.875	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[6a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	129.2610	0.000	1	129.2610	0.000	1	129.2610	0.000	1	127.7832	11.875	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	3:4:1:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5,6])(C[5a]C[5a]S[5a])(C[5]C[5]O){2|C<3>,3|C<4>,5|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(O){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	123.6545	0.157	4	123.6545	0.025	4	123.6545	0.025	4	123.6545	0.025	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H){1|S<2>,5|C<3>}	124.4580	0.000	1	124.4580	0.000	1	124.4580	0.000	1	124.4580	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	129.5180	0.000	1	129.5180	0.000	1	129.5180	0.000	1	127.1415	2.759	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	127.6550	0.000	1	127.6550	0.000	1	127.6550	0.000	1	127.1415	2.759	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	128.5000	0.000	1	128.5000	0.000	1	128.5000	0.000	1	127.1415	2.759	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	125.6690	0.038	2	125.6690	0.001	2	125.7253	0.010	3	127.1415	2.759	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-2:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|S<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|P<4>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	125.8380	0.000	1	125.8380	0.000	1	125.7253	0.010	3	127.1415	2.759	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|C<4>,3|C<3>}	123.9220	0.086	2	123.9220	0.007	2	122.2290	4.031	4	121.7818	2.923	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	120.5360	0.788	2	120.5360	0.620	2	122.2290	4.031	4	121.7818	2.923	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:S[5]-2:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(S[5]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(S[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	120.8875	0.350	2	120.8875	0.123	2	120.8875	0.123	2	121.7818	2.923	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5a]C[5a]2)(C[5]N[5]N)2	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO)	C[5](C[5a]C[5a]2)(C[5]N[5]N)2{1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(C[5]C[5]2){1|H<1>,2|N<2>,2|N<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(NOO){1|N<3>,2|C<3>}	129.6865	0.136	2	129.6865	0.019	2	129.6865	0.019	2	129.6865	0.019	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C){1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3){4|C<3>}	126.1320	0.000	1	126.1320	0.000	1	126.1320	0.000	1	127.0563	0.942	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5a]C[5a]2)(C[5]N[5]C)2	C[5a](C[5a]N[5a]C)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3)	C[5](C[5a]C[5a]2)(C[5]N[5]C)2{1|N<2>,1|N<3>,2|C<4>}	C[5a](C[5a]N[5a]C)2(C[5]C[5]2){1|H<1>,2|C<4>,2|N<2>}	C[5](C[5]C[5a]C[5])(N[5]N[5])(CH3){1|C<4>,2|C<3>}	127.5185	0.776	2	127.5185	0.602	2	127.5185	0.602	2	127.0563	0.942	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]O[5a]N){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O){4|C<3>}	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){4|C<3>}	126.6800	0.000	1	126.6800	0.000	1	126.6800	0.000	1	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:Br-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Br){1|H<1>,1|O<1>,2|C<3>}	136.0900	0.000	1	136.0900	0.000	1	136.0900	0.000	1	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]Br)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|Br<1>,1|O<1>,2|C<3>}	119.3600	0.000	1	119.3600	0.000	1	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	122.3320	0.338	4	122.3320	0.114	4	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	121.2605	0.185	2	121.2605	0.034	2	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	120.5295	0.405	2	120.5295	0.164	2	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	122.0953	1.219	6	122.0953	1.487	6	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	120.8010	0.000	1	120.8010	0.000	1	121.6026	1.318	16	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(C[5]C[5]2){1|B<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	126.2110	0.202	2	126.2110	0.041	2	125.7943	0.331	4	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]C[5]H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]C[5]H)2{1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	125.3775	0.508	2	125.3775	0.258	2	125.7943	0.331	4	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<3>}	128.2260	0.000	1	128.2260	0.000	1	127.8142	0.356	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5]Co)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|Co<6>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5a]C[5])(N[5]N[5]Co)(H){1|C<4>,1|H<1>,2|C<3>}	127.4870	0.000	1	127.4870	0.000	1	127.8142	0.356	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]2)(C[5]N[5]H)2	C[5a](C[5a]N[5a]H)2(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H)	C[5](C[5a]C[5a]2)(C[5]N[5]H)2{1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5a]N[5a]H)2(C[5]C[5]2){2|N<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	127.7930	0.707	4	127.7930	0.500	4	127.8142	0.356	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	119.2005	0.214	4	119.2005	0.046	4	119.2005	0.046	4	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H){1|C<3>,1|F<1>,1|N<3>,3|H<1>}	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	128.4225	0.067	2	128.4225	0.005	2	128.5413	0.256	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	128.0705	0.209	2	128.6008	0.411	4	128.5413	0.256	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5]C[5a]N[5])2(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5a]N[5])2(H){2|C<3>,2|H<1>,2|N<3>}	129.1310	0.256	2	128.6008	0.411	4	128.5413	0.256	6	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|C<4>,1|H<1>,4|C<3>}	130.1400	0.000	1	130.1400	0.000	1	130.1400	0.000	1	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	125.1450	1.441	2	126.6380	7.726	3	126.6380	7.726	3	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	129.6240	0.000	1	126.6380	7.726	3	126.6380	7.726	3	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[5]-3:N[5]-3:	N[5a,6a]-3:C[5]-3:C[5a]-3:	N[5,6a]-3:C[5]-3:H-1:	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<3>,2|H<1>,3|C<3>}	134.7555	0.211	2	134.7555	0.045	2	134.7555	0.045	2	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5]-3:C[5]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:N[5]-3:H-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H)	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Cu)(C[5a]N[5a]H)	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Cu)(C[5]N[5]H){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a]Cu)(C[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5a]N[5])(N[5]C[5]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	135.3060	0.000	1	135.3060	0.000	1	135.3060	0.000	1	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O)	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|Ru<6>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	125.4550	0.964	2	125.4550	0.930	2	125.4550	0.930	2	125.2428	20.664	48	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,5]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[6a]-3:Se[5]-2:	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5])	C[5](C[5,5]C[5,6a]C[5,5])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]Se[5]){1|Se<2>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]C[5])(C[5a]N[5a]H){1|Se<2>,1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[5a])(C[6a]C[6a]2)(Se[5]C[5,5]){1|Se<2>,2|H<1>,5|C<3>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	126.7820	15.553	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC){1|O<1>,4|C<3>}	126.1460	0.000	1	126.1460	0.000	1	126.1460	0.000	1	126.7820	15.553	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	126.7820	15.553	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(N[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	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>}	132.3680	0.000	1	132.3680	0.000	1	132.3680	0.000	1	126.7820	15.553	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:N[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N)	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N){1|Pt<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5])(N[5a]C[5a]Pt)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt){1|N<3>,3|C<3>}	124.6175	0.057	2	124.6175	0.003	2	124.6175	0.003	2	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>,1|N<3>,3|C<4>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	131.1207	1.415	6	131.1254	1.602	8	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	131.1395	1.098	2	131.1254	1.602	8	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	130.7670	0.000	1	130.7670	0.000	1	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	130.5317	1.154	4	130.5317	1.332	4	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Co){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	132.2597	1.172	4	132.2597	1.374	4	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	130.9835	0.227	2	130.9835	0.052	2	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	132.9900	1.664	5	132.9900	2.768	5	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	134.0000	0.000	1	134.0000	0.000	1	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	128.7502	1.834	5	128.7502	3.363	5	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Pt){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	127.9950	0.000	1	127.9950	0.000	1	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Re){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	129.5680	0.000	1	129.5680	0.000	1	131.0365	3.757	32	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:N[5]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	126.2070	0.000	1	126.2070	0.000	1	126.2070	0.000	1	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5]-3:	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,3|C<3>}	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]Ir){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	132.1220	0.000	1	132.1220	0.000	1	132.1220	0.000	1	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	C[5](C[5a]C[5a,6]C[5a])(C[5]C[5]C)(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	125.5600	0.000	1	125.5600	0.000	1	125.5600	0.000	1	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	130.6000	0.504	4	130.6000	0.254	4	130.6000	0.254	4	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,4|C<3>}	131.9190	0.000	1	131.9190	0.000	1	129.8955	8.189	2	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])2{1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	127.8720	0.000	1	127.8720	0.000	1	129.8955	8.189	2	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	130.9410	0.626	2	130.9410	0.392	2	130.5851	1.987	12	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	131.3650	1.182	2	130.0760	1.726	8	130.5851	1.987	12	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	129.6463	1.118	6	130.0760	1.726	8	130.5851	1.987	12	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]O[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	132.2655	1.189	2	132.2655	1.413	2	130.5851	1.987	12	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]P)(C[5]C[5]2){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|P<4>,3|C<3>}	133.1252	0.745	4	133.1252	0.555	4	133.1252	0.555	4	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-3:	N[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C)	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,5|C<3>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)(C[5]C[5]2){2|H<1>,2|N<2>,4|C<3>}	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H){1|N<3>,2|C<3>}	129.5860	0.000	1	129.5860	0.000	1	129.5860	0.000	1	130.5010	5.980	61	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	130.0750	0.000	1	130.0750	0.000	1	130.0750	0.000	1	127.0136	7.467	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2	C[5a](C[5a,6a]C[5a,6a,6a]C[5,6a])2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2{6|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[5,6a])2(C[5]C[5]2){2|C<4>,8|C<3>}	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	124.2125	0.892	2	124.2125	0.795	2	124.2125	0.795	2	127.0136	7.467	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]O[5]C)(CH3){1|O<1>,2|C<3>}	128.9080	0.000	1	128.9080	0.000	1	128.9080	0.000	1	127.0136	7.467	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	127.6600	0.000	1	127.6600	0.000	1	127.6600	0.000	1	127.0136	7.467	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5,5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H){8|C<3>}	127.8080	0.000	1	127.8080	0.000	1	127.8080	0.000	1	123.3900	15.263	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,3|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	123.3900	15.263	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(O){2|F<1>,3|C<3>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	123.3900	15.263	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:Si[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<4>,1|S<2>,2|C<3>}	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	128.0755	0.868	2	128.0755	0.753	2	128.0755	0.753	2	125.8172	3.437	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:S[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|S<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	124.9240	0.000	1	124.6880	0.377	4	124.6880	0.377	4	125.8172	3.437	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:S[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|S<4>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	124.6093	0.727	3	124.6880	0.377	4	124.6880	0.377	4	125.8172	3.437	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2)	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(C[5a]C[5a]2){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|H<1>,1|N<3>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H){8|C<3>}	127.8360	0.000	1	127.8360	0.000	1	125.7405	8.782	2	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]N[5a]C){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H){6|C<3>}	123.6450	0.000	1	123.6450	0.000	1	125.7405	8.782	2	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:O-1:	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	119.6160	0.000	1	119.6160	0.000	1	119.6160	0.000	1	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2)	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]H)(C[5]S[5]O){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]2){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]S[5])(C[5]C[5a]C[5])(H){1|O<1>,1|S<2>,6|C<3>}	125.8610	0.396	2	125.8610	0.157	2	125.8610	0.157	2	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]O)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]C)(C[5]C[5a]C[5])(O){1|O<1>,1|O<2>,4|C<3>}	126.7550	0.000	1	126.7550	0.000	1	126.7550	0.000	1	124.7471	7.491	7	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a])	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC){6|C<3>}	129.8270	0.000	1	129.8270	0.000	1	129.8270	0.000	1	129.8270	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	C[5a](C[5]C[5,5a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,1|S<2>,2|C<3>}	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	127.9910	0.245	2	127.9910	0.060	2	127.9910	0.060	2	128.4170	3.556	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|P<4>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	126.6200	0.000	1	126.6200	0.000	1	126.6200	0.000	1	128.4170	3.556	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5,5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[5,5,6]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5,5,6]O){3|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]C[5]2){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5a]C[5])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,4|H<1>}	131.0660	0.000	1	131.0660	0.000	1	131.0660	0.000	1	128.4170	3.556	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	129.2660	1.687	8	129.2660	2.847	8	129.5268	2.738	11	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|N<2>,1|O<2>,1|S<2>,2|C<3>,4|F<1>}	129.2755	0.281	2	129.2755	0.079	2	129.5268	2.738	11	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	132.1160	0.000	1	132.1160	0.000	1	129.5268	2.738	11	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	130.1900	0.000	1	130.1900	0.000	1	130.4560	0.142	2	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	130.7220	0.000	1	130.7220	0.000	1	130.4560	0.142	2	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	129.5442	0.652	5	129.5442	0.425	5	129.5446	0.482	7	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(C[5]C[5]2){1|H<1>,2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,3|C<3>,4|F<1>}	128.7740	0.000	1	128.7740	0.000	1	129.5446	0.482	7	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:2:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|C<3>,2|N<2>,4|F<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	130.3170	0.000	1	130.3170	0.000	1	129.5446	0.482	7	129.6260	1.681	20	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]S[5a]C)(N[5a]C[5a]){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|O<1>,4|C<3>}	130.7480	0.000	1	130.7480	0.000	1	130.7480	0.000	1	131.9447	1.512	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<4>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	133.2050	0.000	1	133.2050	0.000	1	133.2050	0.000	1	131.9447	1.512	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:2:	3:3:3:	C[5]-3:C[5a]-3:S[5]-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]C)(S[5a]C[5a]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|O<1>,5|C<3>}	131.8810	0.000	1	131.8810	0.000	1	131.8810	0.000	1	131.9447	1.512	3	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]O){1|O<2>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	128.2150	0.000	1	128.2150	0.000	1	128.2150	0.000	1	128.3215	0.023	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|O<1>,1|O<2>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(C[5]C[5]2){1|C<4>,1|H<1>,2|F<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]O){1|O<2>,4|F<1>,5|C<3>}	128.4280	0.000	1	128.4280	0.000	1	128.4280	0.000	1	128.3215	0.023	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	130.5940	0.000	1	130.5940	0.000	1	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|O<2>,3|C<3>,4|F<1>}	129.1740	0.000	1	129.1740	0.000	1	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<2>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	130.0847	0.348	3	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	128.8595	0.083	2	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	129.1687	1.905	29	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Fe<8>,1|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	130.8415	0.742	2	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Si<4>,1|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	130.1220	0.000	1	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	129.0550	0.000	1	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	129.5310	1.189	46	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|S<2>,4|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	129.7150	0.000	1	129.4455	2.084	85	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]O)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,1|S<2>,3|C<3>,4|F<1>}	129.2088	0.946	4	129.2088	0.894	4	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|Si<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	131.7805	0.151	2	131.7805	0.023	2	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	125.8460	0.000	1	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	129.2645	0.368	2	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	128.5910	0.000	1	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	128.1965	0.423	4	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	128.7420	0.238	4	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	128.5827	1.071	7	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	130.0987	0.697	4	128.7476	1.221	23	129.3467	1.976	116	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|F<1>}	128.6320	0.000	1	128.6320	0.000	1	128.7900	0.050	2	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5]C[6a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	128.9480	0.000	1	128.9480	0.000	1	128.7900	0.050	2	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	128.1620	0.000	1	128.1620	0.000	1	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|C<2>,1|C<3>,2|F<1>,3|C<4>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<2>,3|C<3>,4|F<1>}	131.2760	0.000	1	131.2760	0.000	1	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|F<1>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	128.9320	0.000	1	128.8095	0.349	4	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	127.9420	0.000	1	128.8095	0.349	4	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	129.1820	0.027	2	128.8095	0.349	4	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,2|C<3>,2|S<2>,4|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,4|C<3>,4|F<1>}	130.4400	0.000	1	130.4400	0.000	1	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5]-3:C[5a]-3:C[5]-4:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	129.0797	0.655	3	129.0797	0.429	3	129.2355	1.052	10	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,2|F<1>,3|C<3>}	C[5](C[5a]C[5a,5a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,2|S<2>,3|C<3>,4|F<1>}	128.9210	1.423	2	128.9210	2.024	2	128.9210	2.024	2	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	128.7260	0.116	2	128.7260	0.013	2	128.2622	0.131	8	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<2>,3|C<3>,4|F<1>}	127.8905	0.035	2	128.1210	0.160	3	128.2622	0.131	8	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]FF){1|S<2>,2|C<4>,3|C<3>,4|F<1>}	128.5820	0.000	1	128.1210	0.160	3	128.2622	0.131	8	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	128.0943	0.072	3	128.0943	0.005	3	128.2622	0.131	8	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]FF){1|H<1>,1|O<2>,4|C<3>,4|F<1>}	128.5870	0.000	1	128.5870	0.000	1	128.5870	0.000	1	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[5]C[5]2){1|H<1>,2|F<1>,3|C<3>,3|C<4>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|N<3>,4|C<3>,4|F<1>}	128.8520	0.137	2	128.8520	0.019	2	128.0645	3.413	24	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5a]-3:C[5]-3:C[5]-4:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(C[5]C[5]2){1|H<1>,2|C<4>,2|F<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5])(C[5]C[5]FF){1|C<4>,1|S<2>,4|C<3>,4|F<1>}	127.9929	1.916	22	127.9929	3.672	22	128.0645	3.413	24	129.0812	2.205	163	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]H)(H){1|O<2>,2|C<3>,2|C<4>}	125.7800	0.876	4	125.7800	0.767	4	125.7800	0.767	4	127.8300	10.647	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl)	C[5](C[5a]C[5a]S[5a])(C[5]N[5]HO)(C[5]C[5]Cl){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	132.4320	0.000	1	132.4320	0.000	1	132.4320	0.000	1	127.8300	10.647	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:1:	C[5a]-3:S[5]-4:C[5]-3:	C[5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H){1|S<2>,2|O<1>,3|C<3>}	131.4280	0.000	1	131.4280	0.000	1	131.4280	0.000	1	127.8300	10.647	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|C<4>,2|C<3>,2|S<2>,4|F<1>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|S<2>,2|C<3>,4|F<1>}	124.9970	0.000	1	124.9970	0.000	1	126.6745	5.628	2	126.6745	5.628	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:2:3:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2)	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]FF)(C[5]C[5]2){1|O<2>,2|C<3>,2|S<2>,4|F<1>}	C[5a](C[5a]S[5a]O)(N[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,2|F<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]S[5])(C[5]C[5]FF){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|F<1>}	128.3520	0.000	1	128.3520	0.000	1	126.6745	5.628	2	126.6745	5.628	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:2:	3:3:4:	C[5a]-3:S[5]-4:C[5]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5]-3:C[5]-3:C-4:	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH)	C[5](C[5a]C[5a]S[5a])(S[5]C[5]OO)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5a]S[5])(C[5]C[5]C)(CCHH){1|S<2>,2|C<3>,2|O<1>}	133.6260	0.709	2	133.6260	0.502	2	133.6260	0.502	2	133.6260	0.502	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:3:2:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H)	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[5a])(C[5]C[5]O)(OH){2|H<1>,4|C<3>}	127.2560	0.000	1	127.2560	0.000	1	127.2560	0.000	1	127.2560	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:S[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	133.3590	0.000	1	131.8653	2.078	4	131.8653	2.078	4	130.4742	5.891	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:S[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5]C[5]S[5])(C[5a]C[5a]H)(C[5a]S[5a]C){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	131.3673	1.277	3	131.8653	2.078	4	131.8653	2.078	4	130.4742	5.891	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5]-3:Si[5]-4:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	C[5a](C[5]Si[5]C[5])(C[5a]C[5a]H)(C[5a]S[5a]C){3|C<3>,3|C<4>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	127.6920	0.027	2	127.6920	0.001	2	127.6920	0.001	2	130.4742	5.891	6	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:3:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]2){1|N<2>,3|C<3>,6|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]N[5])(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	130.8055	0.298	2	130.8055	0.089	2	130.8055	0.089	2	130.8055	0.089	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(C[5]C[5]H){1|C<3>,1|N<2>,1|O<2>,5|H<1>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(H){1|C<3>,1|N<3>,4|H<1>}	127.3490	1.677	2	127.3490	2.813	2	127.3490	2.813	2	127.3490	2.813	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	3:4:3:	3:3:3:	3:4:4:	C[5a]-3:C[5]-4:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]C[5]2){3|C<4>,3|H<1>}	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	131.8000	0.000	1	131.8000	0.000	1	131.8000	0.000	1	131.8000	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:2:3:	3:3:3:	C[5]-4:C[5]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(C[5]C[5]2){1|O<2>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	130.6950	0.000	1	130.6950	0.000	1	130.6950	0.000	1	130.6950	0.000	1	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]S[5a]C)(N[5a]C[5a]){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	129.1770	0.000	1	129.1770	0.000	1	129.1770	0.000	1	130.2278	1.184	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:S[5a]-2:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	C[5a](C[5]C[5,6]C[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	129.4260	0.000	1	129.4260	0.000	1	129.4260	0.000	1	130.2278	1.184	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:3:3:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,5|C<3>}	130.3170	0.412	2	130.3170	0.169	2	130.8453	0.922	3	130.2278	1.184	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:3:3:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:N[5a]-2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]S[5a]C)(N[5a]C[5a]){1|S<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|S<1>,1|S<2>,5|C<3>}	131.9020	0.000	1	131.9020	0.000	1	130.8453	0.922	3	130.2278	1.184	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:2:	3:4:4:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5]-3:C[5]-4:C-4:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]O[5a])(C[5]C[5]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	C[5](C[5]C[5,5]C[5a])(C[5]C[5,5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	131.6960	0.266	5	131.6960	0.071	5	131.6960	0.071	5	131.6960	0.071	5	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[5a]-3:C[5]-3:	C[5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2)	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H)	C[5](C[5]C[5a]N[5]O)(C[5a]C[5a]2)(C[5]C[5]H){1|Ni<4>,1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[5]C[5]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(C[5]N[5]C)(H){1|Ni<4>,1|O<2>,3|C<3>}	134.0995	1.774	2	134.0995	3.148	2	134.0995	3.148	2	134.0995	3.148	2	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,5,6]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2)	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(C[5a]C[5a]2){1|O<1>,1|S<2>,3|C<3>,3|C<4>,4|H<1>}	C[5a](C[5]C[5,5,6]C[5])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]C[5a])(C[5]C[5,5,6]O)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	127.2070	0.000	1	127.2070	0.000	1	127.2070	0.000	1	129.1295	1.644	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	129.7515	0.035	2	129.7515	0.001	2	129.7515	0.001	2	129.1295	1.644	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	0:SP2_SP2_SP2	C[5]	C[5a]	C[5]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[5]-3:C[5a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	C[5a](C[5]C[5]P[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	129.8080	0.000	1	129.8080	0.000	1	129.8080	0.000	1	129.1295	1.644	4	128.4517	10.884	568	129.3208	17.832	889
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,5a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,5]-3:C[5,5a]-3:C[5a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	C[5,5a](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]C[5])(C[5a]C[5,5a]C[6a]){8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:S[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])(C[5]C[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5]){1|H<1>,4|C<3>}	106.9790	0.000	2	106.9790	0.000	2	106.9790	0.000	2	114.3391	25.463	7	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Se[5]C[5,6a]){1|H<1>,4|C<3>}	117.2832	0.524	5	117.2832	0.275	5	117.2832	0.275	5	114.3391	25.463	7	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	119.1790	0.311	2	119.1790	0.097	2	119.1790	0.097	2	119.1790	0.097	2	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(Se[5]C[5]){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]Se[5])(C[5]C[5,6a]C[6a]2)(C[5]C[5]H){1|Br<1>,6|C<3>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2)	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5])	C[5,5](C[5,5]C[5,5]C[5])(C[5,6a]C[5,6a]2)(C[5,5]Se[5]2){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]2){2|Se<2>,1|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Se[5]C[5,6a])(Se[5]C[5,5]){1|Se<2>,3|C<3>}	113.5645	0.090	2	113.5645	0.008	2	113.5645	0.008	2	113.3945	0.041	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	113.2310	0.000	1	113.2310	0.000	1	113.2245	0.000	2	113.3945	0.041	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:2:2:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:Se[5]-2:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]Se[5]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(Se[5]C[5,6a])(Se[5]C[5]){4|C<3>}	113.2180	0.000	1	113.2180	0.000	1	113.2245	0.000	2	113.3945	0.041	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	106.8260	0.000	1	106.8260	0.000	1	105.6070	1.632	3	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	104.9975	1.018	2	104.9975	1.035	2	105.6070	1.632	3	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	107.7020	0.598	2	107.7020	0.358	2	107.7020	0.358	2	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	110.7510	0.042	2	110.7510	0.002	2	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	109.9960	0.390	2	110.3727	0.491	18	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	110.8410	0.000	1	110.3727	0.491	18	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	110.2720	2.451	2	110.3727	0.491	18	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	110.2180	0.078	2	110.3727	0.491	18	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	110.4451	0.394	11	110.3727	0.491	18	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	108.5285	0.192	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	109.3855	0.513	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	109.1845	0.192	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	109.1400	0.190	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	109.2237	0.481	6	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	109.5005	0.248	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	109.1788	0.350	4	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	108.4395	0.718	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	108.4030	0.250	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	108.7710	0.000	1	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	108.1830	0.113	2	108.9762	0.271	27	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	106.3875	0.511	2	106.3875	0.261	2	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	110.0156	0.736	14	110.0156	0.541	14	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	109.6610	0.078	2	109.6610	0.006	2	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	107.4189	0.405	7	107.4189	0.164	7	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	108.4510	0.229	2	108.4510	0.052	2	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	108.4695	0.129	2	108.4695	0.017	2	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	107.1025	0.516	4	107.1025	0.266	4	109.2133	1.557	80	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5a]-3:C[5,5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	107.7870	0.000	1	107.7870	0.000	1	107.7870	0.000	1	109.0520	2.055	88	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:S[5]-4:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]){1|Si<4>,1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO){4|C<3>}	105.3300	0.064	2	105.3300	0.004	2	105.3300	0.004	2	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]H){3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	107.8780	0.000	1	107.8780	0.000	1	107.8480	0.002	2	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]O[5]C){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	107.8180	0.000	1	107.8180	0.000	1	107.8480	0.002	2	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:P[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a])	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|H<1>,5|C<3>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	106.9310	0.000	1	106.9310	0.000	1	110.5780	16.040	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	107.3080	0.000	1	107.3080	0.000	1	110.5780	16.040	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]S[5]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	114.0365	0.453	2	114.0365	0.205	2	110.5780	16.040	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5,5]C[5]2){4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	105.4645	0.477	2	105.4645	0.228	2	106.2242	0.869	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(C[5,5]C[5]2){1|S<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	106.7980	0.000	1	106.7980	0.000	1	106.2242	0.869	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])(C[5,5]C[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	107.1700	0.000	1	107.1700	0.000	1	106.2242	0.869	4	108.4401	11.536	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:P[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5]){1|Si<4>,1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si){6|C<3>}	106.4715	0.071	2	106.4715	0.005	2	106.4715	0.005	2	107.3925	2.090	10	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]Si[5]C[5]){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	106.7320	0.033	2	106.7320	0.001	2	106.7320	0.001	2	107.3925	2.090	10	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(C[5,5]Si[5]C[5]){1|H<1>,4|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	107.0440	0.493	4	107.0440	0.243	4	107.0440	0.243	4	107.3925	2.090	10	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]N[5])(C[5]C[5,6a]HN)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	111.1940	0.000	1	111.1940	0.000	1	111.1940	0.000	1	107.3925	2.090	10	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	108.1480	0.000	1	108.1480	0.000	1	108.1480	0.000	1	107.3925	2.090	10	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]P[5])(C[5]C[6a]C[5]){1|Se<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,4|C<3>}	C[5,5](P[5]C[5,6a]C[6a]Se)(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,8|C<3>}	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	113.3570	0.000	1	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC){6|C<3>}	109.5580	0.000	1	109.5580	0.000	1	112.6945	19.675	2	110.7685	11.617	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	P[5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5])	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]P[5]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC){6|C<3>}	115.8310	0.000	1	115.8310	0.000	1	112.6945	19.675	2	110.7685	11.617	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	109.2530	0.000	1	108.8425	0.337	2	108.8425	0.337	2	110.7685	11.617	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[6a,6a]-3:C[5,5]-3:C[5,6a]-3:	C[5]-4:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])2(C[5,5]C[5]2){1|Si<4>,3|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5]){1|Si<4>,1|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]SiH)(C[5,5]C[5,6a]2)(C[5]C[5,6a]HH){4|C<3>}	108.4320	0.000	1	108.8425	0.337	2	108.8425	0.337	2	110.7685	11.617	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	109.4105	0.607	2	109.4105	0.369	2	109.6165	0.193	4	109.6165	0.193	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)2(C[5,5]C[5,6a]2){8|C<3>}	109.8225	0.197	2	109.8225	0.039	2	109.6165	0.193	4	109.6165	0.193	4	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Se[5]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Se[5])(Si[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(Se[5]C[5,6a]){1|H<1>,2|C<4>,4|C<3>}	114.6730	0.011	2	114.6730	0.000	2	114.6730	0.000	2	114.6730	0.000	2	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	112.0355	45.687	2	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:P[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(P[5]C[5,6a]C[6a]){1|H<1>,2|O<1>,6|C<3>}	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	112.0355	45.687	2	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH){3|H<1>,4|C<3>}	109.4892	0.274	4	109.4892	0.075	4	109.4892	0.075	4	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.4700	0.000	1	118.4700	0.000	1	118.2247	0.075	3	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|H<1>,1|O<1>,5|C<3>}	118.1020	0.245	2	118.1020	0.060	2	118.2247	0.075	3	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	120.1790	0.000	1	120.1790	0.000	1	120.1230	0.006	2	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.1230	0.006	2	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]CO){1|H<1>,2|C<4>,4|C<3>}	114.7750	0.000	1	114.7750	0.000	1	114.4540	0.137	3	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:P[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(Si[5]C[5,6a]CC){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(P[5]C[5,6a]C[6a]O){1|H<1>,2|C<4>,6|C<3>}	114.2935	0.346	2	114.2935	0.120	2	114.4540	0.137	3	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	113.4150	0.000	1	113.4150	0.000	1	113.3525	0.008	2	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])(Si[5]C[5,6a]CC){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]Si[5])(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	113.2900	0.000	1	113.2900	0.000	1	113.3525	0.008	2	114.4960	16.045	14	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,6|C<3>}	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	109.9220	0.000	1	109.9220	0.000	1	109.9220	0.000	1	110.6700	1.469	5	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,5]-3:C[5,6a]-3:S[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	111.9450	0.037	2	111.9450	0.001	2	111.9450	0.001	2	110.6700	1.469	5	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,5]-3:N[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5,5]C[5,6a]C[5])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	109.7690	0.665	2	109.7690	0.442	2	109.7690	0.442	2	110.6700	1.469	5	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:4:3:	3:3:3:	3:3:4:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:S[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5])	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]P[5])(S[5]C[5,6a]OO){1|C<4>,1|H<1>,5|C<3>}	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	115.6650	0.000	1	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]C[5]){1|H<1>,1|O<2>,7|C<3>}	110.6235	0.349	2	110.6235	0.122	2	110.6235	0.122	2	112.4063	9.596	3	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	3:4:3:	3:3:3:	3:4:3:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:P[5]-4:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5])	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5]){1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]P[5]){1|H<1>,1|O<1>,7|C<3>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	112.4063	9.596	3	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[5]-4:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]){10|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2){10|C<3>,1|H<1>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	114.6057	10.991	3	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5,5]	4:3:3:	3:3:3:	3:3:4:	C[5,5]-4:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:S[5]-4:	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)	C[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]S[5]){1|H<1>,2|O<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO){1|H<1>,6|C<3>}	116.5115	0.433	2	116.5115	0.188	2	116.5115	0.188	2	114.6057	10.991	3	110.3080	11.367	166	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	141.9420	0.000	1	141.9420	0.000	1	141.9420	0.000	1	141.9420	0.000	1	141.9420	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	108.4665	0.279	2	108.4665	0.078	2	108.5195	0.032	4	108.5195	0.032	4	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	108.5725	0.087	2	108.5725	0.008	2	108.5195	0.032	4	108.5195	0.032	4	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2O){1|O<2>,2|C<4>,6|C<3>}	109.0910	0.340	4	109.0910	0.116	4	108.8529	0.421	13	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.4345	0.026	2	108.4345	0.001	2	108.8529	0.421	13	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.6955	0.469	2	108.6955	0.220	2	108.8529	0.421	13	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.8560	1.130	4	108.8560	1.276	4	108.8529	0.421	13	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){1|Si<4>,1|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	109.0400	0.000	1	109.0400	0.000	1	108.8529	0.421	13	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	108.8985	0.023	2	108.8985	0.001	2	108.9557	0.010	3	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2Si){1|C<4>,8|C<3>}	109.0700	0.000	1	109.0700	0.000	1	108.9557	0.010	3	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	108.8800	0.428	18	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	108.3420	0.000	1	108.3420	0.000	1	108.3420	0.000	1	109.0945	1.133	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6,6a]C[5a,6,6a]C[6,6,6a])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	109.8470	0.000	1	109.8470	0.000	1	109.8470	0.000	1	109.0945	1.133	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	109.5690	0.000	1	109.5690	0.000	1	109.5690	0.000	1	108.6283	1.712	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	109.1820	0.000	1	109.1820	0.000	1	108.1580	2.097	2	108.6283	1.712	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	107.1340	0.000	1	107.1340	0.000	1	108.1580	2.097	2	108.6283	1.712	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	108.5450	0.850	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.1970	0.000	1	109.1970	0.000	1	109.1970	0.000	1	108.5450	0.850	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	109.0765	0.368	2	109.0765	0.136	2	109.0765	0.136	2	109.0765	0.136	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	110.0710	0.000	1	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:4:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	109.9020	0.000	1	109.9020	0.000	1	109.9020	0.000	1	110.4060	0.508	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.4060	0.508	2	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.4820	0.000	1	110.4820	0.000	1	110.4820	0.000	1	108.9890	1.674	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	108.2860	0.000	1	108.2860	0.000	1	108.2425	0.004	2	108.9890	1.674	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	108.1990	0.000	1	108.1990	0.000	1	108.2425	0.004	2	108.9890	1.674	3	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	3:4:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.5677	0.085	3	110.5677	0.007	3	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.4257	0.230	3	110.4257	0.053	3	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	109.4410	0.000	1	109.4410	0.000	1	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.8880	0.000	1	109.8880	0.000	1	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	110.8130	0.000	1	110.8130	0.000	1	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<3>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	111.0820	0.000	1	111.1243	0.026	3	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])2(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	111.1455	0.224	2	111.1243	0.026	3	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.4657	0.489	3	110.4657	0.239	3	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){1|H<1>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2H){2|P<4>,8|C<3>}	107.3160	0.000	1	107.3160	0.000	1	110.3255	0.873	16	110.3255	0.873	16	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.7070	0.000	1	110.7070	0.000	1	110.8936	0.110	5	110.8936	0.110	5	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.5190	0.000	1	110.5190	0.000	1	110.8936	0.110	5	110.8936	0.110	5	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	110.9785	0.312	2	111.0807	0.080	3	110.8936	0.110	5	110.8936	0.110	5	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:4:3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	111.2850	0.000	1	111.0807	0.080	3	110.8936	0.110	5	110.8936	0.110	5	109.4946	1.174	60	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6]Hf)(C[5,6]C[5]C[6]){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|Hf<12>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]H){1|Hf<12>,1|H<1>,2|C<3>,2|C<4>}	112.1000	0.000	1	112.1000	0.000	1	110.4540	2.046	3	110.4540	2.046	3	110.4540	2.046	3	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6]	3:4:3:	3:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,6,6]-3:C[5]-4:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6])	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5])	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6a]C[5,6]O)(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[6a]C[5]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|H<1>,1|O<2>,4|C<3>}	109.6310	0.167	2	109.6310	0.028	2	110.4540	2.046	3	110.4540	2.046	3	110.4540	2.046	3	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6,6]	C[5,6a]	C[5,6,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6a,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6,6]-3:C[3x6]-4:	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C)	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[6a]C[6a]C){1|H<1>,3|C<3>,4|C<4>}	C[5,6,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6,6]C[5,6a]C[3x6])(C[3x6]C[5,6,6]2C){2|H<1>,4|C<4>,5|C<3>}	109.2605	0.620	2	109.2605	0.385	2	109.2605	0.385	2	109.2605	0.385	2	109.2605	0.385	2	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,5a,6]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5,5a,6]-3:C[6]-4:C[5]-3:	Se[5,5a]-3:C[5a,6]-3:C[5,6]-3:	C[5,6]-3:O[5]-2:H-1:	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H)	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H)	C[5,6](C[5,5a,6]Se[5,5a]C[5a,6])(C[6]C[6]HH)(C[5]O[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5a,6](Se[5,5a]O[5a]O[5])(C[5a,6]C[5a]C[6])(C[5,6]C[5]C[6]){1|C<4>,6|H<1>}	C[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.0575	0.402	2	112.0575	0.162	2	112.0575	0.162	2	112.0575	0.162	2	112.0575	0.162	2	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,5a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,5a]-3:C[6,6a]-3:C[5,6]-3:	C[5a,6a]-3:C[5,6]-3:C[5,5a]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5])	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	C[5,6](C[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){2|N<3>,4|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[6,6a]C[5,6])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,5]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[5,5]-3:N[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6])	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5]C[5,5]N[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,5]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,5](C[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	102.2450	0.000	1	102.2450	0.000	1	102.2450	0.000	1	102.2450	0.000	1	102.2450	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	107.7960	0.000	1	108.0025	0.085	2	108.4880	0.313	6	108.4880	0.313	6	108.4413	0.276	7	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){2|C<4>,4|C<3>,5|H<1>}	108.2090	0.000	1	108.0025	0.085	2	108.4880	0.313	6	108.4880	0.313	6	108.4413	0.276	7	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5,6]-3:C[6,6a]-3:	C[5,6]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6])	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6,6a]C[5,6])(C[6]C[6]HO){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6])(C[6,6a]C[6a]C[6]){2|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	108.7308	0.507	4	108.7308	0.257	4	108.4880	0.313	6	108.4880	0.313	6	108.4413	0.276	7	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6]	3:4:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	C[5a,6,6a]-3:C[5,6,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6])	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,5,6,6]C[5a,6,6a])(C[5,6]C[5,6]C[6,6]){1|H<1>,3|C<4>,6|C<3>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.4413	0.276	7	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:2:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:N[6]-2:C[5]-3:	N[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5]-3:Br-1:	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br)	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6])	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br)	C[5,6](C[5,6,6a]C[5,6a]N[6,6a])(N[6]C[6,6a])(C[5]C[5]Br){5|C<3>}	C[5,6,6a](N[6,6a]C[6a,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]){1|Br<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br){1|N<3>,4|C<3>}	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:N[5]-3:O-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,2|N<3>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]N[5])(C[6,6a]C[6a]N[6])(C[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,2|C<3>}	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	106.0630	0.000	1	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5]-3:N-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]N)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	106.0160	0.630	3	106.0160	0.397	3	106.0160	0.397	3	106.0160	0.397	3	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	108.8230	0.000	1	108.8230	0.000	1	108.5471	0.205	8	108.5471	0.205	8	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	109.3120	0.000	1	108.5077	0.225	7	108.5471	0.205	8	108.5471	0.205	8	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	108.4005	0.438	4	108.5077	0.225	7	108.5471	0.205	8	108.5471	0.205	8	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H)	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,6]C[6a])(C[6]C[6]H){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	108.3200	0.086	2	108.5077	0.225	7	108.5471	0.205	8	108.5471	0.205	8	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6,6a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:N[5]-2:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H)	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6])	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a])(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]HH)(C[5]N[5]H){1|C<4>,1|H<1>,1|N<4>,2|C<3>}	C[5,6,6a](C[6,6a]C[6,6]C[6a])(C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6a]C[6])(N[5]C[5,6a])(H){1|C<4>,2|C<3>,2|H<1>}	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	106.2350	0.000	1	107.4258	2.024	14	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	107.2200	0.000	1	106.6480	0.654	2	106.6480	0.654	2	106.6480	0.654	2	106.6480	0.654	2	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	106.0760	0.000	1	106.6480	0.654	2	106.6480	0.654	2	106.6480	0.654	2	106.6480	0.654	2	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]){1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|N<2>,2|C<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]O[6])(O[6]Ga[5,6]){1|Ga<4>,1|H<1>,2|N<3>,3|C<3>}	108.5670	0.000	1	108.5670	0.000	1	108.5670	0.000	1	111.7594	14.220	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:S[6]-2:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:S[6]-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6]){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]S[6])(S[6]C[6]){1|H<1>,1|S<2>,4|C<3>}	109.2380	0.052	2	109.2380	0.003	2	109.2380	0.003	2	111.7594	14.220	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:Se[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:Se[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6])	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]Se[5])(Se[6]Se[6]){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]Se[6])(C[5,6]C[5,6]Se[5])(Se[5]C[5,6a]){1|Se<2>,4|C<3>}	115.8770	0.245	2	115.8770	0.060	2	115.8770	0.060	2	111.7594	14.220	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]S[6]){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	111.9070	0.000	1	111.9070	0.000	1	112.4479	0.566	7	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	112.1733	0.950	3	112.1733	0.903	3	112.4479	0.566	7	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	112.6000	0.000	1	112.6000	0.000	1	112.4479	0.566	7	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	113.0540	0.561	2	113.0540	0.315	2	112.4479	0.566	7	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	116.2630	0.000	1	116.2635	0.000	2	116.2635	0.000	2	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(O[6]C[6]){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5,6a]O[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,3|C<3>}	116.2640	0.000	1	116.2635	0.000	2	116.2635	0.000	2	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6]){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]O[6]){1|H<1>,7|C<3>}	112.4320	0.000	1	112.4320	0.000	1	112.4320	0.000	1	112.8134	4.397	11	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(O[6]C[6]){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(O[6]C[5,6,6]){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	112.3900	0.569	2	112.3900	0.323	2	112.3900	0.323	2	112.5712	0.670	4	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.8710	0.000	1	111.8710	0.000	1	112.7525	1.554	2	112.5712	0.670	4	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6])	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	113.6340	0.000	1	113.6340	0.000	1	112.7525	1.554	2	112.5712	0.670	4	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]C){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	109.0990	0.414	2	109.0990	0.172	2	108.9998	0.458	6	108.9998	0.458	6	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	109.3770	0.000	1	109.3770	0.000	1	108.9998	0.458	6	108.9998	0.458	6	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	109.7800	0.000	1	109.7800	0.000	1	108.9998	0.458	6	108.9998	0.458	6	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	108.7860	0.000	1	108.7860	0.000	1	108.9998	0.458	6	108.9998	0.458	6	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Ru){1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Ru<6>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	107.8580	0.000	1	107.8580	0.000	1	108.9998	0.458	6	108.9998	0.458	6	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	108.9480	0.000	1	108.9480	0.000	1	108.6423	0.431	3	108.6423	0.431	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Pd){1|Pd<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Pd<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]PdH)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	109.0900	0.000	1	109.0900	0.000	1	108.6423	0.431	3	108.6423	0.431	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]Rh){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){2|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]RhC)(C[6]C[6]H){1|Rh<4>,1|H<1>,1|N<2>,2|C<3>}	107.8890	0.000	1	107.8890	0.000	1	108.6423	0.431	3	108.6423	0.431	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[5])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<4>,1|H<1>,6|C<3>}	102.0700	0.000	1	102.0700	0.000	1	102.0700	0.000	1	104.6480	2.857	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:S[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]S[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6]){2|H<1>,3|C<3>}	104.8675	0.500	2	104.8675	0.250	2	104.8675	0.250	2	104.6480	2.857	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:Se[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]Se[6]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	105.7175	1.466	2	105.7175	2.149	2	105.7175	2.149	2	104.6480	2.857	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	109.4860	0.000	1	110.4615	1.903	2	109.2203	5.573	3	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	111.4370	0.000	1	110.4615	1.903	2	109.2203	5.573	3	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]S[6]Br){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	106.7380	0.000	1	106.7380	0.000	1	109.2203	5.573	3	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	108.2800	0.000	1	108.2800	0.000	1	108.1910	0.016	2	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]N[6]){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	108.1020	0.000	1	108.1020	0.000	1	108.1910	0.016	2	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	107.0255	0.217	2	107.0255	0.047	2	107.0255	0.047	2	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6,6]C[6a])(C[5,6]C[5,6]C[5]){1|Cl<1>,1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl){1|C<4>,6|C<3>}	106.7080	0.000	1	106.7080	0.000	1	106.7080	0.000	1	107.9754	2.545	9	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	106.4260	0.000	1	106.4260	0.000	1	106.4260	0.000	1	107.7480	3.495	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	107.7480	3.495	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:B[5]-4:C[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6]){2|H<1>,5|C<3>}	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	108.7180	6.408	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|S<2>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,6]C[6]S[5]2)(N[5]C[5,6a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	108.7180	6.408	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	109.3310	0.000	1	108.4940	1.401	2	108.4940	1.401	2	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]H){1|C<2>,1|H<1>,7|C<3>}	107.6570	0.000	1	108.4940	1.401	2	108.4940	1.401	2	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	109.5500	0.000	1	109.5500	0.000	1	110.3882	0.444	4	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6]C[3]){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	110.4110	0.000	2	110.4110	0.000	2	110.3882	0.444	4	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	111.1810	0.000	1	111.1810	0.000	1	110.3882	0.444	4	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-4:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(N[6]C[6]C){1|Cl<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6]){1|C<4>,1|H<1>,7|C<3>}	110.0630	0.000	1	110.0630	0.000	1	110.0630	0.000	1	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]N[5,6a]HH)(C[6]C[6,6a]H){1|O<1>,4|C<3>}	110.6080	0.040	2	110.6080	0.002	2	110.6080	0.002	2	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	110.4290	0.074	2	110.5700	0.062	3	110.6990	0.051	6	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	110.8520	0.000	1	110.5700	0.062	3	110.6990	0.051	6	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	110.8910	0.000	1	110.8910	0.000	1	110.6990	0.051	6	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	110.9060	0.000	1	110.9060	0.000	1	110.6990	0.051	6	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	110.6870	0.000	1	110.6870	0.000	1	110.6990	0.051	6	110.1629	0.891	16	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	109.9990	0.000	1	109.9990	0.000	1	109.9990	0.000	1	107.0843	15.365	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){1|I<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5,5]C[5,6a]3)(C[6]C[6]HH){1|H<1>,1|O<2>,7|C<3>}	102.6280	0.000	1	102.6280	0.000	1	102.6280	0.000	1	107.0843	15.365	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]C[6a]H)(C[6]N[6]HH){1|S<4>,6|C<3>}	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	107.0843	15.365	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C[5])2{1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	106.2940	0.000	1	106.2940	0.000	1	106.2940	0.000	1	108.9023	2.328	7	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	108.7280	0.000	1	108.7280	0.000	1	108.3933	0.344	3	108.9023	2.328	7	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	108.2260	0.721	2	108.2260	0.520	2	108.3933	0.344	3	108.9023	2.328	7	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	110.2980	0.016	2	110.2980	0.000	2	110.2807	0.001	3	108.9023	2.328	7	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	110.2460	0.000	1	110.2460	0.000	1	110.2807	0.001	3	108.9023	2.328	7	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:N[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6]S){1|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]C[6a]H)(C[5,6]C[5,6a]N[6])(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	110.7387	0.193	3	110.7387	0.037	3	110.7387	0.037	3	110.7387	0.037	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	106.8990	0.000	1	106.7495	0.045	2	106.7495	0.045	2	106.7495	0.045	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	106.6000	0.000	1	106.7495	0.045	2	106.7495	0.045	2	106.7495	0.045	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6,6]N[6,6]N[6])(N[5]C[5,6a]){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	110.2280	0.314	2	110.2280	0.099	2	110.2030	0.051	3	110.2030	0.051	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	110.1530	0.000	1	110.1530	0.000	1	110.2030	0.051	3	110.2030	0.051	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	109.7760	0.000	1	109.7760	0.000	1	109.8200	0.142	3	109.8200	0.142	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH){2|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	109.4670	0.000	1	109.4670	0.000	1	109.8200	0.142	3	109.8200	0.142	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:4:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5]-4:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]NN){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	110.2170	0.000	1	110.2170	0.000	1	109.8200	0.142	3	109.8200	0.142	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[6]C[5,6]HH){1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]O[5,6]O[5]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	106.1030	0.000	1	106.1030	0.000	1	106.1030	0.000	1	107.1658	0.495	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6]-3:O[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	107.5290	0.115	2	107.5290	0.013	2	107.5290	0.013	2	107.1658	0.495	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]C)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|H<1>,4|C<3>}	106.8250	0.000	1	106.8250	0.000	1	107.3340	0.518	2	107.1658	0.495	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]){2|C<4>,3|C<3>,4|H<1>}	107.8430	0.000	1	107.8430	0.000	1	107.3340	0.518	2	107.1658	0.495	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[5]){1|H<1>,3|O<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	110.5980	0.007	2	110.5980	0.000	2	110.5980	0.000	2	110.1986	0.176	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]){3|H<1>,3|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	109.9323	0.293	3	109.9323	0.086	3	109.9323	0.086	3	110.1986	0.176	5	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a])	C[5,6](C[5,6]C[5,5,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	108.9140	0.000	1	108.9140	0.000	1	109.4070	0.201	3	109.4070	0.201	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a])	C[5,6](C[5,6]C[5,6,6]C[6a]C[5])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[6]){10|C<3>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	109.6535	0.196	2	109.6535	0.038	2	109.4070	0.201	3	109.4070	0.201	3	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5,6]	C[5,6a]	C[5,6]	4:3:3:	3:3:3:	3:3:4:	P[6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6]-3:C[5a,6]-3:S[5]-4:	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5])	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO)	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5]){1|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	113.4970	0.430	2	113.4970	0.185	2	113.4970	0.185	2	113.4970	0.185	2	109.5562	6.595	104	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,5a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]C[5,5]C[5a])(C[5]C[5,5]C[6a]){8|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,5a]C[5,6a])(C[5]C[5,5a]C[6a]){1|H<1>,7|C<3>}	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	105.1460	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|B<4>,2|O<2>,3|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	106.4765	0.063	2	106.6657	0.109	3	106.6657	0.109	3	106.6657	0.109	3	106.8928	0.619	5	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,5a]-3:C[5,6]-3:C[5a]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a])	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(C[5a]C[5a]N[5a]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6]C[5a])(C[5]C[5,6]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,5a]O[6]H)(C[5]C[5,5a]C[5a])(C[6]C[6,6a]O){1|N<3>,5|C<3>}	107.0440	0.000	1	106.6657	0.109	3	106.6657	0.109	3	106.6657	0.109	3	106.8928	0.619	5	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5,5a]-3:C[5,6]-3:C-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3)	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,6]C[6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6])(N[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	106.2660	0.000	1	106.2660	0.000	1	106.2660	0.000	1	107.2335	1.872	2	106.8928	0.619	5	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5,5a]-3:C[5,6]-3:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH)	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C)	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5,6]C[6])(CSiHH){2|C<3>,2|C<4>,4|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)(C[5]C[5,6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]N[5,5a]C[6]H)(C[5]C[5,5a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	107.2335	1.872	2	106.8928	0.619	5	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	3:2:4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]Si)(H){2|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|C<3>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3){1|C<3>,1|S<2>}	116.1060	0.223	2	116.1060	0.050	2	116.1060	0.050	2	116.1060	0.050	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O)	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(O){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5a]O)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	103.5315	0.028	2	103.5315	0.001	2	103.5315	0.001	2	103.5315	0.001	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	3:4:3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5a]-3:S[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]S[5])(H){1|S<2>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5a]C[5a]S[5a])(S[5]C[5,5a]OO)(C[5]C[5,5a]H){1|H<1>,1|S<2>,3|C<3>}	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	S[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]H)(H){2|C<3>,2|O<1>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(H){1|C<3>,1|S<2>}	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	S[5]-4:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H)	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H)	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5])	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]S[5])(H){1|S<4>,2|O<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(S[5a]C[5a])(C[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(C[5]C[5]S[5]){1|H<1>,1|S<2>,2|O<1>,3|C<3>}	112.5980	0.000	1	112.5980	0.000	1	112.5980	0.000	1	108.5815	32.265	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[5,5a]-3:C[5]-3:S-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(S){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]S){2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H){1|S<2>,5|C<3>}	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	108.5815	32.265	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	4:3:4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5]C)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(S[5a]C[5a,6a])(C[5]C[5]H){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]C[5])(C[5]C[5,5a]H)(CH3){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	111.5780	9.452	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:2:3:	4:3:4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:S[5a]-2:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H)	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H)	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]S[5]C)(H){2|C<3>,2|O<1>}	C[5,5a](C[5,5a]C[5,5a]S[5])(S[5a]C[5,5a])(C[5]C[5]H){1|C<3>,1|C<4>,1|S<4>,2|O<1>}	C[5](S[5]C[5,5a]OO)(C[5]C[5,5a]H)(CH3){1|C<3>,1|S<2>}	113.3325	0.660	2	113.3325	0.435	2	113.3325	0.435	2	111.5780	9.452	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H){1|C<3>,1|N<3>}	112.7523	0.413	4	112.7523	0.170	4	112.7182	0.139	6	112.7182	0.139	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H)	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(H){1|C<3>,1|N<3>}	112.6500	0.410	2	112.6500	0.168	2	112.7182	0.139	6	112.7182	0.139	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H)	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3)	C[5](C[5,5a]C[5,5a]2)(C[5]Se[5]Si)(H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>}	C[5](C[5]C[5,5a]H)(Se[5]C[5,5a])(SiC3){1|C<3>,1|S<2>}	117.3975	0.040	2	117.3975	0.002	2	117.3975	0.002	2	117.3975	0.002	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:Cl-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl)	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]Cl)(Cl){1|O<1>,1|O<2>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]O)(C[5]C[5]Cl){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]Cl)(C[5]N[5,5a]O)(Cl){2|C<3>}	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.4000	1.083	31	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]C[5,5a]H)2(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){4|H<1>}	C[5](C[5]C[5,5a]H)2(H){2|C<3>}	105.4760	0.188	2	105.4760	0.035	2	108.4742	0.984	28	108.4000	1.083	31	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H){1|S<2>,3|C<3>}	108.7048	0.535	26	108.7048	0.287	26	108.4742	0.984	28	108.4000	1.083	31	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|O<1>,3|H<1>}	C[5](C[5]C[5,5a]H)(C[5]N[5,5a]O)(H){2|C<3>}	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.4000	1.083	31	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	106.0100	0.000	1	106.0100	0.000	1	106.0100	0.000	1	108.4000	1.083	31	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H)	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H)	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5]N[5]C)(H){1|N<3>,2|C<3>}	C[5,5a](C[5,5a]N[5a,5a]N[5])(C[5a]C[5a,5a]C[6a])(C[5]C[5]H){5|C<3>}	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a]){1|C<3>,1|N<3>}	105.4270	0.000	1	105.4270	0.000	1	105.4270	0.000	1	105.0050	0.356	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,5a]-3:C[5]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,5a]O)(C[5]N[5,5a]O)(NN){2|C<3>}	104.5830	0.000	1	104.5830	0.000	1	104.5830	0.000	1	105.0050	0.356	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]I)(H){1|C<4>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(N[5a]C[5a,6a]C)(C[5]C[5]H){1|I<1>,4|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]H)(I){1|N<3>,5|C<3>}	106.5505	0.709	2	106.5505	0.503	2	106.5505	0.503	2	106.2037	4.315	10	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){1|S<3>,4|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	108.9025	0.610	2	108.8450	0.196	3	108.8450	0.196	3	106.2037	4.315	10	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]H)(H){2|C<3>}	108.7300	0.000	1	108.8450	0.196	3	108.8450	0.196	3	106.2037	4.315	10	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:O-1:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	103.3240	0.000	1	103.3240	0.000	1	103.3240	0.000	1	106.2037	4.315	10	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:O-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]O)(O){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	104.7692	0.284	4	104.7692	0.081	4	104.7692	0.081	4	106.2037	4.315	10	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,5a]-3:C[5]-3:O-1:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H){2|C<3>}	105.8540	0.000	1	105.8540	0.000	1	105.8540	0.000	1	105.8540	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:2:	3:3:3:	4:3:2:	C[5,5a]-3:C[5]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-3:	Si[5]-4:C[5]-3:S-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC)	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C)	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]Si[5]S)(CC){1|Si<4>,1|C<3>,1|S<2>,2|C<4>}	C[5,5a](C[5,5a]C[5a]Si[5])(C[5a]S[5a]Si)(C[5]C[5]C){1|Si<4>,1|S<2>,2|C<4>}	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS){2|C<3>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C)	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]N[5]O)(CCC){1|C<4>,2|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,5a]C)(N[5]C[5,5a]C)(O){1|C<3>,1|S<2>}	104.9730	0.000	1	104.9730	0.000	1	104.9730	0.000	1	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]C[5]H){1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]2){2|C<3>,4|H<1>}	C[5](C[5]C[5,5a]C[5])(C[5]C[5,5a]H)(H){1|S<2>,3|C<3>}	104.0577	0.353	26	104.0577	0.125	26	104.0577	0.125	26	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	104.3190	0.000	1	104.3190	0.000	1	104.6713	0.076	6	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	104.4030	0.000	1	104.7563	0.094	3	104.6713	0.076	6	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]C)(O){1|S<2>,3|C<3>}	104.9330	0.010	2	104.7563	0.094	3	104.6713	0.076	6	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	104.5730	0.000	1	104.7200	0.043	2	104.6713	0.076	6	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C[5])(N[5]C[5,5a]H)(O){1|S<2>,3|C<3>}	104.8670	0.000	1	104.7200	0.043	2	104.6713	0.076	6	104.1970	0.186	33	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH){3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]C[5]C){4|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	106.2330	0.000	1	106.2330	0.000	1	106.6890	0.236	3	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	107.2000	0.000	1	106.9170	0.160	2	106.6890	0.236	3	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(COO){3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]C[5]C){1|H<1>,3|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	106.6340	0.000	1	106.9170	0.160	2	106.6890	0.236	3	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(S[5a]C[5a,6a])(C[5]C[5]2){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	133.1240	0.000	1	133.1240	0.000	1	133.2423	0.297	6	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	134.0700	0.000	1	133.2660	0.367	5	133.2423	0.297	6	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	132.7900	0.590	2	133.2660	0.367	5	133.2423	0.297	6	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	133.2730	0.000	1	133.2660	0.367	5	133.2423	0.297	6	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(S[5a]C[5a])(C[5]C[5]2){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	133.4070	0.000	1	133.2660	0.367	5	133.2423	0.297	6	124.3912	176.514	9	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:Si[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]Si[5])(C[5a]C[5a]2){1|H<1>,1|S<2>,3|C<4>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]Si[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5](C[5]C[5,5a]C[5a])(Si[5]C[5,5a]CC)(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,4|C<3>}	112.8840	0.785	2	112.8840	0.616	2	112.8840	0.616	2	112.1372	0.966	4	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	3:4:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	C[5]-3:S[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a])	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a]S[5])(C[5]C[6a]C[5])(S[5a]C[5a]){2|O<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]2){1|S<2>,2|H<1>,5|C<3>}	111.3905	0.224	2	111.3905	0.050	2	111.3905	0.050	2	112.1372	0.966	4	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a])	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,5a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,5a]){1|O<1>,1|S<2>,5|C<3>}	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	111.2080	0.000	1	111.2080	0.000	1	111.2885	0.013	2	111.2885	0.013	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:2:	4:3:3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5,5a]-3:C[5]-3:S[5a]-2:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a])	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]P[5])(C[5]C[5a]C[5])(S[5a]C[5a,6a]){1|O<1>,6|C<3>}	C[5](P[5]C[5,5a]C[6a]O)(C[5]C[5,5a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,2|S<2>,6|C<3>}	111.3690	0.000	1	111.3690	0.000	1	111.2885	0.013	2	111.2885	0.013	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O){4|C<3>}	105.4400	0.000	1	105.4400	0.000	1	105.4400	0.000	1	105.4400	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]H)(C[5]C[5]C){2|C<3>,2|O<1>}	C[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	101.9490	0.000	1	101.9490	0.000	1	101.9490	0.000	1	107.1500	41.132	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5])	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[5a]C[5]){1|S<2>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5a]C[5a])(N[5]C[5,5a]C[6a])(O){1|N<3>,1|S<2>,4|C<3>}	114.3160	0.000	1	114.3160	0.000	1	114.3160	0.000	1	107.1500	41.132	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(C[5]N[5]O){2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a]N[5])(N[5a]C[5a]C[6a])(C[5]C[6a]C[5]){2|O<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a])(N[5]C[5,5a]C[6a])(O){1|N<3>,5|C<3>}	105.1850	0.000	1	105.1850	0.000	1	105.1850	0.000	1	107.1500	41.132	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){1|C<4>,2|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	106.9070	0.000	1	106.7595	0.044	2	106.7595	0.044	2	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]C){3|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	106.6120	0.000	1	106.7595	0.044	2	106.7595	0.044	2	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,5a]C)2(CCH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[6a]C[5]){6|C<3>}	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	105.9670	0.000	1	105.9670	0.000	1	105.9670	0.000	1	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5a]C[5])(C[5]C[6a]C[5]){1|H<1>,7|C<3>}	C[5](C[5]C[5,5a]C[6a])2(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.7110	0.000	1	107.7110	0.000	1	107.7110	0.000	1	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5]-3:N-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N)	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[5](C[5]C[5,5a]N)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	107.1113	1.442	6	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)(COO){1|N<3>,2|C<3>,2|C<4>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.8363	0.023	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5a]C[5,6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	107.6610	0.000	1	107.6610	0.000	1	107.6610	0.000	1	107.8363	0.023	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[6a]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]C[6a])(H){1|N<3>,7|C<3>}	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.8363	0.023	3	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:C[5]-3:C-4:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(CC[6a]HO){2|C<3>}	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	117.4535	200.661	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]C[5]2){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5,5a]C[5])(C[5]C[5]HH){1|C<4>,1|S<2>,3|C<3>,5|H<1>}	127.4700	0.000	1	127.4700	0.000	1	127.4700	0.000	1	117.4535	200.661	2	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]C)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	105.5020	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,5a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5]C){1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]C)(CCO){1|N<3>,3|C<3>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	108.9162	43.263	130	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2)(C[6a]C[6a]2){3|Cl<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6a])(C[6a]C[6a]Cl){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5,6]C[5,6a]C[5,6]2)(C[5]C[5,6a]C[6a]){11|C<3>,2|H<1>}	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	107.8000	0.440	2	107.8263	0.099	3	107.8263	0.099	3	107.8263	0.099	3	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	107.8790	0.000	1	107.8263	0.099	3	107.8263	0.099	3	107.8263	0.099	3	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	5:3:3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5,6]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5](C[5,5]P[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](P[5,5,6]C[5,6a]C[6,6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	118.0050	0.000	1	118.0050	0.000	1	118.0050	0.000	1	117.6940	0.193	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:1:	3:3:3:	5:3:3:	C[5,5]-3:C[5,6a]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl)	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(Cl){1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Cl){1|H<1>,8|C<3>}	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.6940	0.193	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|C<2>,1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(S[5]C[5]){1|H<1>,4|C<3>}	105.9810	0.000	2	105.9810	0.000	2	105.9810	0.000	2	105.9810	0.000	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a]){1|H<1>,7|C<3>}	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]N[5]HH){1|S<4>,5|C<3>}	105.5660	0.000	1	105.5660	0.000	1	105.8597	0.065	3	105.3536	0.548	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|I<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	106.0350	0.000	1	106.0065	0.002	2	105.8597	0.065	3	105.3536	0.548	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	105.9780	0.000	1	106.0065	0.002	2	105.8597	0.065	3	105.3536	0.548	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H)	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	104.3290	0.000	1	104.3290	0.000	1	104.5945	0.141	2	105.3536	0.548	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]2)(S[5]C[5,6a]OO){6|C<3>}	104.8600	0.000	1	104.8600	0.000	1	104.5945	0.141	2	105.3536	0.548	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.0560	0.075	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6])(C[5]C[5,6]C[6a]2)(C[5]C[5,6a]C[6a]){10|C<3>}	106.8620	0.000	1	106.8620	0.000	1	106.8620	0.000	1	107.0560	0.075	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|O<1>,2|C<4>,6|C<3>}	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	105.6550	0.000	1	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	107.1250	0.000	1	107.1250	0.000	1	106.8012	1.065	5	106.8012	1.065	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]2){3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	106.7202	1.173	4	106.7202	1.376	4	106.8012	1.065	5	106.8012	1.065	5	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:3:	3:3:3:	5:3:3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,5]-5:C[5,6a]-3:C[5]-3:	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,5]C[5,6a]P[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[5,5](P[5,5]C[5,6a]C[6a]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]){10|C<3>,1|H<1>}	115.0610	0.847	2	115.0610	0.718	2	115.0610	0.718	2	115.0610	0.718	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:3:	C[5,5]-3:C[5,6a]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[5]-3:	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si)	C[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(SiC3){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]Si){1|Si<4>,1|H<1>,4|C<3>}	104.5570	0.362	2	104.5570	0.131	2	104.5570	0.131	2	104.5570	0.131	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:C[5]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5])(SiC3){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(C[5]C[5,6a]Si)(S[5]C[5,5]OO){4|C<3>}	104.2415	0.100	2	104.2415	0.010	2	104.2415	0.010	2	104.2415	0.010	2	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CC3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	108.5310	0.000	1	108.5310	0.000	1	108.6878	0.008	6	107.9278	1.993	8	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){1|Si<4>,3|C<3>}	108.7353	0.029	3	108.7192	0.003	5	108.6878	0.008	6	107.9278	1.993	8	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:Si[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Si[5])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(Si[5]C[5,5]CC)(C[5]C[5,6a]C){4|C<3>}	108.6950	0.092	2	108.7192	0.003	5	108.6878	0.008	6	107.9278	1.993	8	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-3:P[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(SiC3){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5])(P[5]C[5,5]C[6a]O)(C[5]C[5,6a]Si){6|C<3>}	105.6475	0.202	2	105.6475	0.041	2	105.6475	0.041	2	107.9278	1.993	8	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(CCCH){1|B<4>,1|O<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]B[5]H)(C[5]C[5,6a]C)(C[5]O[5]C){1|Li<3>,4|C<3>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	107.6487	12.008	36	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,3|C<4>,7|C<3>}	105.2750	0.000	1	105.2750	0.000	1	105.4485	0.108	6	105.4485	0.108	6	105.4485	0.108	6	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-3:C[5]-3:	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]2C[5,6a])(C[5,6,6]C[5,3x6]C[5,6a])(C[5]C[5,6a]O){1|H<1>,2|C<4>,8|C<3>}	105.4832	0.355	5	105.4832	0.126	5	105.4485	0.108	6	105.4485	0.108	6	105.4485	0.108	6	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:N[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a]){1|H<1>,5|C<3>}	104.3440	0.116	2	104.3440	0.013	2	104.3440	0.013	2	104.3440	0.013	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|O<1>,5|C<3>}	105.6710	0.000	1	106.0835	0.340	2	106.0835	0.340	2	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<1>,1|O<2>,5|C<3>}	106.4960	0.000	1	106.0835	0.340	2	106.0835	0.340	2	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(Cl){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cl){1|C<4>,6|C<3>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	112.8610	0.000	1	112.8610	0.000	1	112.8610	0.000	1	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6,6]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){1|C<4>,6|C<3>}	105.9010	0.000	1	105.9010	0.000	1	105.2500	0.318	3	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	104.9245	0.023	2	104.9245	0.001	2	105.2500	0.318	3	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	105.7967	0.699	3	105.7967	0.489	3	105.1501	0.631	8	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	104.1470	0.373	2	104.7622	0.358	5	105.1501	0.631	8	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	105.0270	0.000	1	104.7622	0.358	5	105.1501	0.631	8	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	105.2640	0.000	1	104.7622	0.358	5	105.1501	0.631	8	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	105.2260	0.000	1	104.7622	0.358	5	105.1501	0.631	8	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5,6])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]C[5])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	103.8590	0.448	2	103.8590	0.201	2	103.8590	0.201	2	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H){2|H<1>,3|C<3>}	105.1190	0.298	2	105.1190	0.089	2	105.1190	0.089	2	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O){1|O<1>,4|C<3>}	104.7420	0.000	1	104.1100	0.413	3	104.1100	0.413	3	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O){1|O<1>,4|C<3>}	103.4570	0.000	1	104.1100	0.413	3	104.1100	0.413	3	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6])(O){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a]Pt)(C[5]C[5,6a]O){1|O<1>,4|C<3>}	104.1310	0.000	1	104.1100	0.413	3	104.1100	0.413	3	105.6386	5.385	22	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	105.5880	0.000	1	105.5880	0.000	1	105.7005	0.025	2	105.8897	0.060	4	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	105.8130	0.000	1	105.8130	0.000	1	105.7005	0.025	2	105.8897	0.060	4	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	106.0790	0.106	2	106.0790	0.011	2	106.0790	0.011	2	105.8897	0.060	4	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	108.5010	0.000	1	108.5010	0.000	1	108.5010	0.000	1	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[5,6]CC)(C[5]C[5,6a]O){5|C<3>}	105.9747	0.371	3	105.9747	0.137	3	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CC)(C[5]C[5,6a]O){5|C<3>}	105.7590	0.000	1	105.7590	0.000	1	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]CH)(C[5]C[5,6a]O){5|C<3>}	106.0250	0.000	1	106.0250	0.000	1	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	106.2253	0.418	3	106.2032	0.118	4	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	106.1370	0.000	1	106.2032	0.118	4	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	105.9550	0.000	1	105.9550	0.000	1	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	105.6470	0.000	1	105.6470	0.000	1	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	105.9407	0.563	3	105.9407	0.317	3	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	106.0300	0.000	1	106.0300	0.000	1	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	106.0390	0.144	2	106.0390	0.021	2	106.0031	0.103	17	106.1419	0.444	18	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	104.2290	0.000	1	104.2290	0.000	1	106.0723	3.575	3	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|H<1>,2|C<4>,7|C<3>}	106.9940	1.433	2	106.9940	2.052	2	106.0723	3.575	3	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|H<1>,8|C<3>}	110.5780	0.000	1	110.5780	0.000	1	110.0525	0.552	2	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	109.5270	0.000	1	109.5270	0.000	1	110.0525	0.552	2	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	114.3420	0.000	1	114.3420	0.000	1	114.4253	0.013	3	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|S<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]S)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	114.3800	0.000	1	114.3800	0.000	1	114.4253	0.013	3	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]P[5,6]C[6])(H){1|Se<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|Se<1>,2|H<1>,3|C<3>}	C[5,6](P[5,6]C[5,6a]C[6,6a]Se)(C[5]C[5,6a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	114.5540	0.000	1	114.5540	0.000	1	114.4253	0.013	3	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	106.2250	0.000	1	106.2250	0.000	1	105.7134	0.395	5	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	105.4540	0.000	1	105.4540	0.000	1	105.7134	0.395	5	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	106.0560	0.371	2	106.0560	0.137	2	105.7134	0.395	5	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	104.7760	0.000	1	104.7760	0.000	1	105.7134	0.395	5	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[5]C[5,6a]O)(C[6]C[6,6a]C){6|C<3>}	105.8610	0.000	1	105.8610	0.000	1	105.8610	0.000	1	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	106.0300	0.000	1	106.0300	0.000	1	106.0300	0.000	1	108.1371	13.361	15	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Br){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Br)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	111.0430	1.717	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:Cl-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(Cl){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[5]C[5,6a]Cl)(C[6]N[6]HH){1|O<2>,1|S<4>,2|C<3>,2|H<1>,3|C<4>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	111.0430	1.717	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|H<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	110.7570	0.000	1	110.7570	0.000	1	110.7570	0.000	1	111.0430	1.717	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|Br<1>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	110.7580	1.721	4	110.7580	2.960	4	110.7580	2.960	4	111.0430	1.717	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6,6])(H){1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[5]C[5,6]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	110.6275	0.674	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5,6]CC)(C[5]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.6275	0.674	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:N-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(NN){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[6a]){1|H<1>,1|S<4>,6|C<3>}	110.9880	0.000	1	110.9880	0.000	1	109.9750	2.052	2	108.7622	2.640	5	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|Br<1>,1|H<1>,1|S<4>,6|C<3>}	108.9620	0.000	1	108.9620	0.000	1	109.9750	2.052	2	108.7622	2.640	5	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]S[5]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]C[5])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	106.4230	0.000	1	106.4230	0.000	1	106.4230	0.000	1	108.7622	2.640	5	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a,6a]2){10|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a]){1|C<4>,2|H<1>,6|C<3>}	108.7190	0.301	2	108.7190	0.091	2	108.7190	0.091	2	108.7622	2.640	5	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,1|H<1>,6|C<3>}	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	108.7095	0.146	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.7095	0.146	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|O<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){2|C<4>,2|H<1>,8|C<3>}	109.4100	0.000	1	109.4100	0.000	1	108.7870	0.776	2	108.1813	1.361	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-3:C[5]-3:	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[5,5,6]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]Cl){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]C[6a]){10|C<3>,2|C<4>}	108.1640	0.000	1	108.1640	0.000	1	108.7870	0.776	2	108.1813	1.361	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a])	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[6a]){1|C<4>,3|H<1>,8|C<3>}	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	108.1813	1.361	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]O[6]H)(C[5]C[5,6a]C[5a])(N[6]C[6]Ni){1|C<4>,1|N<3>,4|C<3>}	106.9225	1.626	2	106.9225	2.643	2	107.7133	1.780	4	108.1813	1.361	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6])(C[5a]C[5a]N[5a]){1|Ni<4>,1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	108.5040	0.444	2	108.5040	0.197	2	107.7133	1.780	4	108.1813	1.361	7	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<4>,6|C<3>}	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	108.5240	0.120	3	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	108.4580	0.462	2	108.4580	0.214	2	108.4580	0.214	2	108.5240	0.120	3	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	109.8630	0.000	1	109.8485	0.000	2	109.9237	0.017	3	109.9237	0.017	3	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	109.8340	0.000	1	109.8485	0.000	2	109.9237	0.017	3	109.9237	0.017	3	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,2|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)2(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	110.0740	0.000	1	110.0740	0.000	1	109.9237	0.017	3	109.9237	0.017	3	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:S[6]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(CCHH){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|S<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(S[6]C[6]){2|H<1>,3|C<3>}	106.2920	0.687	2	106.2920	0.472	2	106.2920	0.472	2	106.7270	0.433	4	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5,6]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:Se[6]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]Se[6])(CCHH){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C){1|Se<2>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(Se[6]C[6]){2|H<1>,3|C<3>}	107.1620	0.263	2	107.1620	0.069	2	107.1620	0.069	2	106.7270	0.433	4	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[5,6a]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C){1|C<4>,1|H<1>,6|C<3>}	108.4190	0.000	1	108.4190	0.000	1	108.4190	0.000	1	108.5530	0.036	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C)(C[6]C[6]C){2|H<1>,4|C<3>}	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.5530	0.036	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5,6]-3:Si-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(SiC3){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]Si)(C[6]C[6]HH){3|H<1>,4|C<3>}	106.9760	0.185	2	106.9760	0.034	2	106.9760	0.034	2	106.9760	0.034	2	107.3621	6.361	101	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	106.8910	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(H){1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(H){2|C<3>}	105.7930	0.000	1	105.7930	0.000	1	105.7930	0.000	1	111.8880	28.340	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H){2|C<3>}	115.6270	0.000	1	115.6270	0.000	1	114.9355	0.956	2	111.8880	28.340	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(H){2|C<3>}	114.2440	0.000	1	114.2440	0.000	1	114.9355	0.956	2	111.8880	28.340	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(CC[6a]C[5]){2|C<3>}	106.6550	0.542	4	106.6550	0.293	4	106.6550	0.293	4	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(COO){2|C<3>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	114.1430	1.990	2	114.1430	3.959	2	114.1430	3.959	2	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:Se[5]-2:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]Se[5])(H){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5](C[5]C[5,6a]I)(N[5]C[5,6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(I){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]I)(N[5]C[5,6a])(COO){2|C<3>}	107.3220	0.000	1	107.3220	0.000	1	107.3220	0.000	1	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a])(NCH){2|C<3>}	102.4760	0.000	1	102.4760	0.000	1	102.4760	0.000	1	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H){2|C<3>}	103.2970	0.000	2	103.2970	0.000	2	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C){2|C<3>}	104.0130	0.141	2	104.0130	0.020	2	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	103.9820	0.000	1	104.1561	0.066	7	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	104.1840	0.000	1	104.1561	0.066	7	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	104.1854	0.301	5	104.1561	0.066	7	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se){2|C<3>}	104.4650	0.000	1	104.4650	0.000	1	104.0148	0.163	12	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,3|C<3>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	109.4125	0.414	2	109.4125	0.171	2	109.7061	0.358	11	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	110.9400	0.000	1	109.7713	0.400	9	109.7061	0.358	11	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	109.6252	0.487	8	109.7713	0.400	9	109.7061	0.358	11	107.3719	12.648	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3)	C[5](C[5,6a]C[5,6a]2)(C[5]Se[5]Si)(H){3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3){2|C<3>}	117.3520	0.024	2	117.3520	0.001	2	117.3520	0.001	2	117.2528	0.306	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(CCHH){2|C<3>}	116.7415	0.018	2	116.7415	0.000	2	116.7415	0.000	2	117.2528	0.306	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:2:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]Si)(H){1|B<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H){1|Se<2>,1|Si<4>,1|B<3>,1|C<3>,2|O<2>}	C[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(SiC3){2|C<3>}	118.0770	0.000	1	118.0770	0.000	1	118.0770	0.000	1	117.2528	0.306	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H){4|C<3>}	110.8200	0.000	1	110.8200	0.000	1	110.8200	0.000	1	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:Br-1:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]Br)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|Br<1>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(Br){1|H<1>,3|C<3>}	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	109.2450	0.000	1	109.2450	0.000	1	109.3123	0.302	12	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|Br<1>,3|C<3>}	108.8200	0.151	2	108.8200	0.023	2	109.3123	0.302	12	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(H){1|H<1>,3|C<3>}	109.4292	0.579	9	109.4292	0.336	9	109.3123	0.302	12	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H){2|C<3>}	109.5560	0.279	2	109.5683	0.039	3	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H){2|C<3>}	109.5930	0.000	1	109.5683	0.039	3	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	106.4750	0.000	1	108.2375	6.213	2	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){4|C<3>}	110.0000	0.000	1	108.2375	6.213	2	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H){2|C<3>,2|C<4>}	109.4530	0.000	1	109.4530	0.000	1	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	109.5140	0.000	1	108.7310	0.314	4	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	108.4700	0.248	3	108.7310	0.314	4	108.9021	1.016	11	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(O){2|C<3>}	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O){2|H<1>,3|C<3>}	105.1270	0.190	4	105.1270	0.036	4	105.1270	0.036	4	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(O){1|C<4>,3|C<3>}	106.1707	0.213	4	106.1707	0.045	4	106.1707	0.045	4	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H){4|C<3>}	105.2644	0.204	7	105.2644	0.042	7	105.2644	0.042	7	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I){2|C<3>}	104.8170	0.000	1	104.8170	0.000	1	104.8170	0.000	1	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O){2|C<3>}	106.0770	0.000	1	106.0770	0.000	1	106.0770	0.000	1	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.3450	0.000	1	105.3450	0.000	1	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Br<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.5230	0.000	1	104.5230	0.000	1	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.0510	0.000	1	105.0070	0.004	2	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	104.9630	0.000	1	105.0070	0.004	2	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.5043	0.263	3	104.4805	0.048	4	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.4090	0.000	1	104.4805	0.048	4	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.1000	0.224	11	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.1110	0.505	7	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.1740	0.256	3	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.3393	0.176	3	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.1431	0.355	42	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.5204	0.587	10	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.0541	0.153	7	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	105.4630	0.000	1	105.1842	0.147	84	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.8870	0.112	4	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.6880	0.082	2	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.9752	0.252	12	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.7458	0.337	4	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.8075	0.431	2	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.5740	0.328	2	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.6238	0.480	4	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.9593	0.395	3	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	105.0270	0.000	1	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.6360	0.000	1	104.8402	0.092	35	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(O){2|C<3>}	104.7500	0.000	1	104.7500	0.000	1	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(O){2|C<3>}	104.5170	0.000	1	104.5170	0.000	1	105.0539	0.161	129	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O){4|C<3>}	105.3580	0.000	1	105.2577	0.090	3	105.2577	0.090	3	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(O){4|C<3>}	105.2075	0.407	2	105.2577	0.090	3	105.2577	0.090	3	105.6653	2.275	175	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC){2|C<3>}	101.6230	0.000	1	101.6230	0.000	1	101.6230	0.000	1	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC){2|C<3>}	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:Se[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Se[5])(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	115.1690	0.000	1	115.1690	0.000	1	115.1690	0.000	1	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a]){2|C<3>}	106.1690	0.000	1	106.9560	1.239	2	106.9560	1.239	2	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C-3:N[5]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(H){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a]){2|C<3>}	107.7430	0.000	1	106.9560	1.239	2	106.9560	1.239	2	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	105.9181	0.187	7	105.9181	0.035	7	105.9074	0.031	9	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	105.8700	0.190	2	105.8700	0.036	2	105.9074	0.031	9	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO){2|C<3>}	105.5864	0.528	8	105.5864	0.279	8	105.6943	0.217	15	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	105.8463	0.411	6	105.8177	0.146	7	105.6943	0.217	15	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	105.6460	0.000	1	105.8177	0.146	7	105.6943	0.217	15	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	105.4560	0.000	1	105.2517	0.031	3	105.3086	0.022	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	105.1495	0.004	2	105.2517	0.031	3	105.3086	0.022	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]O)(SC){2|C<3>}	105.3900	0.000	1	105.3900	0.000	1	105.3086	0.022	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|H<1>,2|S<2>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a]){2|C<3>}	105.3980	0.000	1	105.3980	0.000	1	105.3086	0.022	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	109.8540	0.030	2	109.8540	0.001	2	109.8580	0.109	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]){3|C<4>,4|C<3>}	109.7195	0.562	2	109.7195	0.316	2	109.8580	0.109	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]S[5])(S[5]C[5,6a]){1|O<1>,4|C<3>}	110.1430	0.000	1	110.1430	0.000	1	109.8580	0.109	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	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>}	103.1290	0.000	1	103.1290	0.000	1	103.1290	0.000	1	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(NS){2|C<3>}	104.9100	0.000	1	104.9100	0.000	1	104.9100	0.000	1	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	103.1310	0.000	2	103.1310	0.000	2	102.6486	0.209	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]){6|C<3>}	102.3270	0.176	3	102.3270	0.031	3	102.6486	0.209	5	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,1|S<2>,4|C<3>}	111.0070	0.000	1	111.0070	0.000	1	110.1787	0.541	3	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]O)(S[5]C[5,6a]){1|N<2>,4|C<3>}	109.7645	0.228	2	109.7645	0.052	2	110.1787	0.541	3	106.2627	6.675	49	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Br){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]Br)(C[6a]C[6a]2){1|Br<1>,1|H<1>,6|C<3>}	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	110.2060	0.083	2	110.2060	0.007	2	110.2060	0.007	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C){1|H<1>,3|C<3>}	108.2675	0.302	2	108.2675	0.091	2	108.2675	0.091	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	As[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]As[5]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](As[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	117.6955	0.579	2	117.6955	0.335	2	117.6955	0.335	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	109.4410	0.000	1	109.4410	0.000	1	109.1644	0.948	7	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO){2|C<3>}	109.2310	0.119	2	109.2310	0.014	2	109.1644	0.948	7	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O){2|C<3>}	110.0040	0.000	1	110.0040	0.000	1	109.1644	0.948	7	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO){2|C<3>}	110.4530	0.000	1	110.4530	0.000	1	109.1644	0.948	7	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	107.8955	0.035	2	107.8955	0.001	2	109.1644	0.948	7	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.3907	0.437	4	110.3907	0.191	4	110.4764	0.180	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	110.8190	0.000	1	110.8190	0.000	1	110.4764	0.180	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC){2|C<3>}	107.4323	0.129	3	107.4323	0.017	3	107.4323	0.017	3	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC){2|C<3>}	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]S[5])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5](S[5]C[5,6a]Cu)(C[5]C[5,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	110.1940	0.247	2	110.1940	0.061	2	110.1940	0.061	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.2750	0.000	1	111.2750	0.000	1	111.2750	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	105.6045	0.787	2	105.6045	0.619	2	105.6045	0.619	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH){2|C<3>}	106.4518	0.194	5	106.4518	0.038	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	106.8970	0.047	2	106.8258	0.106	12	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	106.8116	0.357	10	106.8258	0.106	12	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H){2|C<3>}	106.1130	0.000	1	106.1130	0.000	1	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	106.6500	0.000	1	106.6500	0.000	1	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC){4|C<3>}	105.9340	0.000	1	105.9340	0.000	1	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	105.3900	0.000	1	105.3666	0.016	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	105.2200	0.000	1	105.3666	0.016	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	105.3900	0.000	1	105.3666	0.016	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	105.5520	0.000	1	105.3666	0.016	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	105.2810	0.000	1	105.3666	0.016	5	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO){2|C<3>}	106.4940	0.000	1	106.4940	0.000	1	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	106.6320	0.278	3	106.6320	0.077	3	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	106.3970	0.123	2	106.3970	0.015	2	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCN){2|C<3>}	106.6150	0.451	2	106.6150	0.204	2	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	112.4910	0.000	1	112.4910	0.000	1	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a]){2|C<3>}	107.0913	0.625	4	107.0913	0.391	4	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	106.6027	0.334	10	106.6027	0.112	10	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	106.7562	0.626	4	106.7562	0.392	4	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	106.8319	0.560	14	106.8319	0.314	14	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]O){2|C<3>}	107.5360	1.669	2	107.5360	2.785	2	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	106.3127	0.892	4	106.2568	0.394	9	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	106.2120	0.431	5	106.2568	0.394	9	106.6630	0.832	77	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	106.5605	0.317	2	106.5605	0.101	2	106.4666	0.250	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	106.0245	0.069	2	106.0245	0.005	2	106.4666	0.250	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[5]C[5]2){2|N<3>,4|C<3>}	107.1630	0.000	1	107.1630	0.000	1	106.4666	0.250	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6]C[6,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[6]C[6,6a]2){6|C<3>}	106.9030	0.130	2	106.9030	0.017	2	106.9326	0.050	14	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	106.9630	0.037	2	106.9375	0.058	12	106.9326	0.050	14	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){2|H<1>,4|C<3>}	106.9582	0.268	9	106.9375	0.058	12	106.9326	0.050	14	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	106.7000	0.000	1	106.9375	0.058	12	106.9326	0.050	14	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.0380	0.000	1	106.0380	0.000	1	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	106.1320	0.000	1	105.9073	0.088	3	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<1>,1|H<1>,4|C<3>}	106.0180	0.000	1	105.9073	0.088	3	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.5720	0.000	1	105.9073	0.088	3	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.1530	0.028	2	106.2840	0.036	4	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.4150	0.194	2	106.2840	0.036	4	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6740	0.000	1	106.2557	0.139	3	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0465	0.127	2	106.2557	0.139	3	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4900	0.000	1	105.4900	0.000	1	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.6830	0.000	1	105.6830	0.000	1	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|N<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8920	0.000	1	105.8920	0.000	1	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	107.3760	0.000	1	107.3760	0.000	1	106.1403	0.220	15	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	105.8975	0.234	2	105.8975	0.055	2	105.7617	0.282	6	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H){4|C<3>}	106.2235	0.356	2	106.2235	0.127	2	105.7617	0.282	6	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt){1|N<3>,3|C<3>}	105.1640	0.228	2	105.1640	0.052	2	105.7617	0.282	6	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|C<4>,2|O<2>,4|C<3>}	104.0160	0.000	1	104.6957	0.482	3	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|H<1>,2|O<2>,4|C<3>}	104.6680	0.000	1	104.6957	0.482	3	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]N[5])(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|O<2>,5|C<3>}	105.4030	0.000	1	104.6957	0.482	3	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,4|C<3>}	105.1490	0.000	1	104.6170	0.136	6	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	104.2685	0.373	2	104.6170	0.136	6	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	104.7030	0.037	2	104.6170	0.136	6	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|O<1>,5|C<3>}	104.6100	0.000	1	104.6170	0.136	6	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.5300	0.000	1	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.4020	0.000	1	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.7530	0.054	2	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.6390	0.000	1	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|O<1>,4|C<3>}	105.2780	0.000	1	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.5613	0.544	4	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	104.9280	0.000	1	104.6844	0.148	11	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]C){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	105.2760	0.000	1	105.2760	0.000	1	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5]N[5])(N[5]C[5,6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	105.1860	0.000	1	105.1860	0.000	1	104.7172	0.177	22	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(N[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(N[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	105.9535	0.541	2	105.9535	0.293	2	105.9535	0.293	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(SCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|S<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(SCC){2|C<3>}	105.2130	0.239	6	105.2130	0.057	6	105.2130	0.057	6	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(O){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]Cl)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(S[5]C[5,6a]O){3|C<4>,4|C<3>}	108.8493	0.697	3	108.8493	0.486	3	108.8493	0.486	3	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[5a]N){2|C<3>}	105.3280	0.000	1	105.3280	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	105.1255	0.261	2	105.1255	0.068	2	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N){2|C<3>}	105.4820	0.000	1	105.4820	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCC){2|C<3>}	104.4960	0.000	1	104.4960	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH){2|C<3>}	104.7080	0.000	1	104.7080	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCN){2|C<3>}	105.1740	0.000	1	105.1740	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C){2|C<3>}	105.0170	0.000	1	105.0170	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	105.3830	0.153	2	105.3830	0.023	2	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	105.1300	0.000	1	105.1300	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	104.6720	0.000	1	104.6720	0.000	1	105.0853	0.106	12	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]C){2|C<3>}	109.8345	0.131	6	109.8345	0.017	6	109.8345	0.017	6	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	105.6380	0.000	1	105.6380	0.000	1	104.9193	0.233	4	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	104.6395	0.028	2	104.6797	0.005	3	104.9193	0.233	4	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	104.7600	0.000	1	104.6797	0.005	3	104.9193	0.233	4	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:N[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(O){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Ru<6>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]Ru)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	103.5705	0.548	2	103.5705	0.300	2	103.5705	0.300	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6,6]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6,6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|H<1>,4|C<4>}	107.1865	0.347	4	107.1865	0.120	4	107.1865	0.120	4	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S){1|H<1>,5|C<3>}	106.4620	0.000	1	106.4620	0.000	1	107.7354	0.762	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]O)2{6|C<3>}	108.0538	0.584	4	108.0538	0.341	4	107.7354	0.762	5	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O)	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(O){1|Ni<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N[6a])(C[5]C[5]O){1|Ni<4>,5|C<3>}	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a]){2|C<3>}	103.2300	0.000	1	103.2300	0.000	1	103.2300	0.000	1	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(O){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]N[5]){1|O<1>,7|C<3>}	104.5575	0.168	2	104.5575	0.028	2	104.5575	0.028	2	106.8184	4.451	218	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	110.2305	0.371	2	110.2305	0.138	2	106.8187	15.589	4	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	103.4070	0.262	2	103.4070	0.068	2	106.8187	15.589	4	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC){2|C<3>}	106.8070	0.000	1	106.8070	0.000	1	106.6982	0.011	5	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	106.7520	0.000	1	106.7520	0.000	1	106.6982	0.011	5	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	106.6440	0.097	3	106.6440	0.009	3	106.6982	0.011	5	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru){2|C<3>}	107.1970	0.000	1	107.1970	0.000	1	107.3720	0.061	2	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH){2|C<3>}	107.5470	0.000	1	107.5470	0.000	1	107.3720	0.061	2	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3){2|C<3>}	111.0670	0.083	2	111.0670	0.007	2	111.0670	0.007	2	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](S[5]C[5,6a]Rh)(C[5]C[5,6a]H)(PC[6a]2Rh)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]P)(H){1|Rh<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	C[5](S[5]C[5,6a]Rh)(C[5]C[5,6a]H)(PC[6a]2Rh){2|C<3>}	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	106.6720	0.000	1	106.6720	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	105.5310	0.000	1	105.5310	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	106.7130	0.000	1	106.7130	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	106.5900	0.000	1	106.5900	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	106.3300	0.000	1	106.3300	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	107.0640	0.000	1	107.0640	0.000	1	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	106.9412	0.408	4	106.9412	0.167	4	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	107.4562	0.179	4	107.4562	0.032	4	106.8921	0.327	14	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	107.3679	4.519	29	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[6]C[5,6,6]C[6])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|H<1>,2|C<3>,4|C<4>}	110.7100	0.000	2	110.7100	0.000	2	110.7100	0.000	2	108.6659	4.278	8	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	108.6659	4.278	8	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P[5])(H){1|C<4>,1|P<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	C[5](P[5]C[5,5]P[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,1|H<1>,1|P<3>,4|C<3>}	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	108.6659	4.278	8	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	107.0595	0.328	4	107.0595	0.108	4	107.0595	0.108	4	108.6659	4.278	8	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	110.3130	0.180	2	110.3130	0.032	2	110.3130	0.032	2	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[5,6])(C[5]C[5,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	110.4040	0.014	2	110.4040	0.000	2	110.4040	0.000	2	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(Br){2|C<3>}	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|B<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]H)(H){2|C<3>}	109.5710	0.000	1	109.5710	0.000	1	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H){2|C<3>}	110.6120	0.000	1	110.6120	0.000	1	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(H){2|C<3>,3|C<4>}	110.3690	0.000	1	110.3690	0.000	1	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CrH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Cr<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cr<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]CrH)(C[5]C[5,6a]H)(H){2|C<3>}	108.7760	0.000	1	108.7760	0.000	1	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(H){2|C<3>}	106.8540	0.000	1	106.8540	0.000	1	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	110.1403	0.081	3	110.1743	0.009	4	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(H){2|C<3>}	110.2760	0.000	1	110.1743	0.009	4	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]PdH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]PdH)(C[5]C[5,6a]H)(H){2|C<3>}	109.1310	0.000	1	108.9100	0.098	2	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]PdH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(H){1|Pd<7>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<7>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]PdH)(C[5]C[5,6a]H)(H){2|C<3>}	108.6890	0.000	1	108.9100	0.098	2	109.5181	1.216	11	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]Mn2)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]H)(H){2|Mn<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,1|C<3>,3|H<1>}	C[5](P[5]C[5,6a]Mn2)(C[5]C[5,6a]H)(H){2|C<3>}	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)(O){1|H<1>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[5,5]C[5,6a]S[5]2)(C[5]C[5,6a]O)(O){4|C<3>}	105.9330	0.000	1	105.9330	0.000	1	105.9330	0.000	1	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C[5](C[5,6]C[5,6a]N[6]2)(C[5]C[5,6a]O)(O){2|C<4>,4|C<3>}	105.5140	0.000	1	105.5140	0.000	1	105.5140	0.000	1	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	108.4450	0.000	1	108.4450	0.000	1	108.4450	0.000	1	109.4119	4.101	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]H)(N[5]C[5,6a]){1|C<4>,5|C<3>}	107.7610	0.000	1	107.7610	0.000	1	107.7610	0.000	1	110.4860	21.282	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|P<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]H)(SIr){2|C<3>}	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	110.4860	21.282	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CC){4|C<3>}	115.2580	0.027	2	115.2580	0.001	2	115.2580	0.001	2	110.4860	21.282	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(NO){2|C<3>}	104.9660	0.000	1	104.9660	0.000	1	104.9660	0.000	1	110.4860	21.282	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(Br){1|Br<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]BrH)(C[5]C[5,6a]Br)(C[6a]C[6a]2){2|H<1>,4|C<3>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:Cl-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(Cl){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl){2|H<1>,4|C<3>}	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>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|F<1>,8|C<3>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[4,5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[4,5]C[5,6a]C[4]2)(C[5]C[5,6a]H)(NCS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[5,6a]C[4]2)(C[5]C[5,6a]H)(NCS){1|C<4>,3|C<3>,3|H<1>}	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S){2|H<1>,4|C<3>}	109.0472	0.533	4	109.0472	0.284	4	109.0472	0.284	4	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:B-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]B)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(BC[6a]2){2|C<3>}	111.2335	0.298	2	111.2335	0.089	2	111.2335	0.089	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH){2|C<3>}	110.8670	0.122	2	110.8670	0.015	2	110.4053	0.179	6	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CC[5]2){2|C<3>}	110.1745	0.282	4	110.1745	0.080	4	110.4053	0.179	6	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	111.5270	0.000	1	111.2570	0.062	3	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.1220	0.122	2	111.2570	0.062	3	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.9800	0.000	1	110.9800	0.000	1	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	110.8790	0.000	1	110.8790	0.000	1	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.1820	0.000	1	109.1820	0.000	1	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.5460	2.098	4	107.5460	4.401	4	109.4996	4.673	10	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	110.0610	0.150	4	110.0610	0.023	4	109.0119	1.525	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]IrP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ir<7>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ir<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	C[5](C[5]C[5,6a]IrP)(C[5]C[5,6a]H)(NCC){2|C<3>}	109.6690	0.000	1	109.6690	0.000	1	109.0119	1.525	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]RhP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Rh<7>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	C[5](C[5]C[5,6a]RhP)(C[5]C[5,6a]H)(NCC){2|C<3>}	109.6400	0.000	2	109.6400	0.000	2	109.0119	1.525	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]RuP)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(H){1|Ru<8>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5](C[5]C[5,6a]RuP)(C[5]C[5,6a]H)(NCC){2|C<3>}	107.4845	0.273	4	107.4845	0.075	4	109.0119	1.525	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CCH){4|C<3>}	115.8817	0.147	3	115.8817	0.022	3	115.8817	0.022	3	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	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>}	116.1655	0.059	2	116.1655	0.003	2	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	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>}	116.9860	0.000	1	116.9860	0.000	1	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,4|C<3>}	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>}	116.3230	0.000	1	116.3230	0.000	1	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	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>}	116.9105	0.308	2	116.9105	0.095	2	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	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>}	116.4270	0.204	4	116.4270	0.042	4	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	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>}	115.9110	0.000	1	115.9110	0.000	1	116.4618	0.140	11	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]H)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]N)(H){1|H<1>,1|W<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]H)(NCC){4|C<3>}	115.3490	0.000	1	115.3490	0.000	1	115.3490	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|O<2>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]O)(C[5]C[5]H){1|O<2>,1|S<4>,2|C<3>,2|O<1>}	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>}	115.7000	0.000	1	115.7000	0.000	1	116.0415	0.233	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	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>}	116.3830	0.000	1	116.3830	0.000	1	116.0415	0.233	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	118.1040	0.000	1	118.1040	0.000	1	117.8610	0.058	4	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	117.7800	0.220	3	117.7800	0.048	3	117.8610	0.058	4	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(I){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){1|I<1>,1|N<2>,2|H<1>,6|C<3>}	112.4830	0.000	1	112.4830	0.000	1	112.4830	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(I){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	111.2360	0.324	2	111.2360	0.105	2	111.2360	0.105	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(I){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	112.2080	0.000	1	112.2080	0.000	1	112.2080	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(O){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	107.2355	0.583	2	107.2355	0.340	2	107.2355	0.340	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	107.7420	0.000	1	107.7420	0.000	1	107.7420	0.000	1	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]O)(C[5]C[5]O){1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CCN){4|C<3>}	107.7390	0.000	1	107.7390	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH){6|C<3>}	106.8760	0.000	1	106.8760	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	106.5703	0.398	3	106.5703	0.159	3	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	107.0710	0.000	1	106.6908	0.264	6	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	106.6148	0.536	5	106.6908	0.264	6	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH){2|C<3>}	106.8145	0.350	2	106.8145	0.123	2	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCO){2|C<3>}	108.3190	0.000	1	108.3190	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	106.4768	0.439	4	106.4768	0.192	4	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	106.5630	0.000	1	106.5630	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	107.0230	0.000	1	106.8534	0.154	25	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	106.5687	0.101	4	106.8534	0.154	25	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	106.9019	0.414	20	106.8534	0.154	25	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	108.0730	0.000	1	108.0730	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	107.2435	0.139	2	107.2435	0.019	2	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	107.0120	0.211	2	107.0120	0.044	2	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	106.5920	0.000	1	106.5920	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]O)(CCC){2|C<3>}	107.1130	0.000	1	107.1130	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	106.9730	0.000	1	106.9730	0.000	1	106.8748	0.236	52	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	107.1387	0.202	3	107.1387	0.041	3	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	107.1713	0.486	3	107.1713	0.236	3	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	107.3118	0.378	4	107.3118	0.143	4	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,1|O<1>,7|C<3>}	106.2129	0.287	12	106.2288	0.079	13	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[5]C[5]2){1|H<1>,2|O<2>,7|C<3>}	106.4190	0.000	1	106.2288	0.079	13	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,1|O<2>,7|C<3>}	107.0930	0.000	1	107.0930	0.000	1	106.6768	0.335	24	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	106.3710	0.000	1	106.3710	0.000	1	107.0520	0.928	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(O){2|C<3>,2|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]N[6]2){2|H<1>,4|C<3>}	107.7330	0.000	1	107.7330	0.000	1	107.0520	0.928	2	109.2207	12.838	144	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(Br){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]Br)(CCHH){4|C<3>}	112.9530	0.000	1	112.9530	0.000	1	112.9530	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	P[5,6]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H)	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](P[5,6]C[5,6,6a]P[6]W)(C[5]C[5,6a]H)(SiC[6a]CC)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]P[5,6]Si)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[5](P[5,6]C[5,6,6a]P[6]W)(C[5]C[5,6a]H)(SiC[6a]CC){4|C<3>}	117.2570	0.000	1	117.2570	0.000	1	117.2570	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	S[5]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H)	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]2)(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,6a]S[5])(C[5,6a]C[5,6a]C[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(SiC3){2|C<3>}	116.4470	0.134	2	116.4470	0.018	2	116.4470	0.018	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	110.5190	0.000	1	110.5190	0.000	1	111.0955	0.665	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CCHH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	111.6720	0.000	1	111.6720	0.000	1	111.0955	0.665	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]H)(CH3){2|C<3>}	111.1050	0.000	1	111.1050	0.000	1	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]H)(CCHH){2|C<3>}	110.3050	0.000	1	110.3050	0.000	1	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]H)(CH3){1|H<1>,4|C<3>}	111.0505	0.146	2	111.0505	0.021	2	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	110.5230	0.000	1	110.5230	0.000	1	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CHHS){2|C<3>}	106.1190	0.000	1	106.1190	0.000	1	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]H)(CCHO){2|C<3>}	110.2690	0.339	2	110.2690	0.115	2	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]Si[5]H)(C[5]C[5,6a]H)(CH3){1|C<4>,4|C<3>}	110.5500	0.000	1	110.5500	0.000	1	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]H)(CH3){4|C<3>}	109.8967	0.252	3	109.8967	0.063	3	110.0776	1.775	12	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	109.4490	0.000	1	109.4490	0.000	1	108.4575	1.966	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	107.4660	0.000	1	107.4660	0.000	1	108.4575	1.966	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(H){1|Cr<9>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[6]C[6]2Cr){2|C<3>,2|C<4>,2|H<1>}	107.3600	0.000	1	107.3600	0.000	1	107.3600	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(PCCO){2|C<3>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3){2|C<3>}	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CBrHH){2|C<3>}	114.6100	0.000	1	114.6100	0.000	1	114.9390	0.709	3	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(H){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(CHHO){2|C<3>}	115.1035	1.121	2	115.1035	1.256	2	114.9390	0.709	3	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	117.9910	0.365	2	117.9910	0.133	2	117.9910	0.133	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	S[5]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]S[5]Si)(H){2|O<1>,3|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[4,6a]S[5])(C[5]C[5]H){1|Si<4>,1|H<1>,1|S<2>,2|O<1>,3|C<3>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]H)(SiC3){2|C<3>}	116.8310	0.184	2	116.8310	0.034	2	116.8310	0.034	2	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCCH){2|C<3>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]2)(H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	111.9543	11.738	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	111.5050	0.000	1	111.5050	0.000	1	109.0673	4.474	3	109.0673	4.474	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.8485	0.185	2	107.8485	0.034	2	109.0673	4.474	3	109.0673	4.474	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(O){2|C<3>}	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	111.1080	17.698	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(OH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(O){2|C<3>}	108.1270	0.000	1	108.1270	0.000	1	108.1270	0.000	1	111.1080	17.698	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]S)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]S)(N[5]C[5,6a])(H){2|C<3>}	107.2960	0.000	1	107.2960	0.000	1	107.2960	0.000	1	111.1080	17.698	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]S)(Se[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]S)(Se[5]C[5,6a])(H){2|C<3>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	111.1080	17.698	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:Se-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	C[5](C[5]C[5,6a]Se)(Se[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]H)(SeC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]Se)(Se[5]C[5,6a])(H){2|C<3>}	114.9310	0.194	2	114.9310	0.038	2	114.9310	0.038	2	111.1080	17.698	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(NHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CN){3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,5|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(NHH){2|C<3>}	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	104.7813	7.639	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NCH){2|C<3>}	101.9190	0.000	1	101.9190	0.000	1	103.4545	4.716	2	104.7813	7.639	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NHS){2|C<3>}	104.9900	0.000	1	104.9900	0.000	1	103.4545	4.716	2	104.7813	7.639	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	106.4584	0.170	7	106.4584	0.029	7	106.6447	0.160	9	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(O){1|H<1>,3|C<3>}	107.2965	0.117	2	107.2965	0.014	2	106.6447	0.160	9	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)2(O){2|C<3>}	107.6170	0.156	2	107.6170	0.024	2	107.6170	0.024	2	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	104.5435	0.329	2	104.5435	0.108	2	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	105.6670	0.324	2	105.4723	0.086	4	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	105.2775	0.045	2	105.4723	0.086	4	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[5a]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	105.6990	0.000	1	105.6990	0.000	1	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	105.3760	0.421	2	105.3760	0.178	2	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	105.6005	0.284	2	105.6005	0.080	2	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	105.4540	0.000	1	105.7009	0.056	12	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	105.6863	0.211	10	105.7009	0.056	12	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	106.0940	0.000	1	105.7009	0.056	12	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	105.7232	0.277	6	105.7232	0.077	6	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	106.3229	0.202	14	106.4090	0.149	15	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	107.6140	0.000	1	106.4090	0.149	15	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.2190	0.109	3	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.3915	0.050	2	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.4140	0.151	8	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.3892	0.192	5	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.6940	0.294	2	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.2750	0.352	26	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.4436	0.125	5	106.3422	0.082	51	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	106.8880	0.530	3	106.8880	0.281	3	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.8970	0.000	1	106.9968	0.056	4	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.7990	0.000	1	106.9968	0.056	4	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	107.1455	0.272	2	106.9968	0.056	4	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NP){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	104.8850	0.000	1	104.8850	0.000	1	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NS){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	106.0140	0.000	1	106.0140	0.000	1	106.1588	0.292	104	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O){4|C<3>}	105.7980	0.103	2	105.7980	0.011	2	106.3330	0.864	3	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(O){4|C<3>}	107.4030	0.000	1	107.4030	0.000	1	106.3330	0.864	3	106.2250	0.334	118	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a])	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a])	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]N)(NC[6a]){1|C<4>,1|H<1>,2|C<3>}	106.3887	0.595	3	106.3887	0.354	3	106.3887	0.354	3	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC){1|H<1>,3|C<3>}	105.7245	0.657	2	105.7245	0.432	2	106.7140	0.357	28	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	106.5146	0.214	16	106.5146	0.046	16	106.7140	0.357	28	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NN){1|H<1>,3|C<3>}	107.1407	0.382	6	107.1407	0.146	6	106.7140	0.357	28	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	107.3665	0.895	4	107.3665	0.802	4	106.7140	0.357	28	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(NC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5]N[5])(N[5]C[5,6a]){1|N<2>,4|C<3>}	103.0815	0.088	2	103.0815	0.008	2	103.0815	0.008	2	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	103.3770	0.000	1	103.4150	0.003	2	103.4150	0.003	2	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	103.4530	0.000	1	103.4150	0.003	2	103.4150	0.003	2	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<2>,5|C<3>}	128.7420	0.000	1	128.5615	0.065	2	128.5615	0.065	2	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[5]){1|H<1>,1|N<3>,5|C<3>}	128.3810	0.000	1	128.5615	0.065	2	128.5615	0.065	2	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	108.0385	0.528	2	108.0385	0.279	2	108.2930	0.334	3	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OGa[5]){1|H<1>,3|C<3>}	108.8020	0.000	1	108.8020	0.000	1	108.2930	0.334	3	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(NN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(ONi){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(NN){2|C<3>}	108.8170	0.000	1	108.8170	0.000	1	108.8170	0.000	1	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(SC[6a]){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(SC[6a]){2|C<3>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	107.6334	24.368	42	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CN){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH){2|C<3>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	106.9950	0.000	1	106.9950	0.000	1	106.5285	0.182	4	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO){1|H<1>,3|C<3>}	106.3730	0.359	3	106.3730	0.129	3	106.5285	0.182	4	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NS){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C){4|C<3>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.0010	0.000	1	106.0010	0.000	1	107.6335	6.432	4	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6380	0.000	1	106.6380	0.000	1	107.6335	6.432	4	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NN){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9475	3.491	2	108.9475	12.187	2	107.6335	6.432	4	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH){2|C<3>}	106.9490	0.000	1	106.9490	0.000	1	106.5675	0.291	2	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NC[6a]){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H){1|O<2>,3|C<3>}	106.1860	0.000	1	106.1860	0.000	1	106.5675	0.291	2	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a])	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(NC[6a]){4|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO){2|C<3>}	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	110.8550	0.000	1	110.8550	0.000	1	109.3518	5.791	6	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	113.5630	0.000	1	113.5630	0.000	1	109.3518	5.791	6	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(ORu){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CNO){2|C<3>}	107.9232	0.515	4	107.9232	0.266	4	109.3518	5.791	6	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(OH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	110.6860	0.000	1	110.6860	0.000	1	110.6860	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	112.8900	0.000	1	112.8900	0.000	1	112.8900	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(COO){2|C<3>}	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(SC){1|O<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]S){1|O<1>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5,6a]S){1|H<1>,5|C<3>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	108.6200	6.462	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(SiC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C)2(SiC[6a]3){2|C<3>}	109.7455	0.078	2	109.7455	0.006	2	109.7455	0.006	2	110.6159	4.149	7	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	110.7850	0.091	2	110.7850	0.008	2	109.9673	0.965	4	110.6159	4.149	7	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)2(CCHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CCHP){2|C<3>}	109.1495	0.460	2	109.1495	0.212	2	109.9673	0.965	4	110.6159	4.149	7	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	114.9510	0.000	1	114.9510	0.000	1	114.9510	0.000	1	110.6159	4.149	7	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CN){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	109.9560	0.000	1	109.9560	0.000	1	109.9560	0.000	1	114.2972	29.534	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a])	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Si[5]H)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](Si[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	118.9965	0.122	2	118.9965	0.015	2	118.9965	0.015	2	114.2972	29.534	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(H){2|C<3>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	114.2972	29.534	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C){4|C<3>}	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|C<2>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	111.6070	0.000	1	111.6070	0.000	1	111.2320	0.281	2	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CN){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.8570	0.000	1	110.8570	0.000	1	111.2320	0.281	2	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(CC){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(NHS){4|C<3>}	108.9620	0.000	1	108.9620	0.000	1	108.9620	0.000	1	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6,6]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6,6]C[5])(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[5,6,6]C[5,6a])(C[5]C[5,6a]O)2{1|H<1>,2|C<4>,7|C<3>}	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(OFe){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	110.3948	1.512	6	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]N[5]H)(C[5]C[5,6a]C)(CH3){1|C<4>,3|C<3>}	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	111.5398	7.322	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3){6|C<3>}	109.8510	0.076	2	109.8510	0.006	2	110.0537	0.126	3	111.5398	7.322	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(PC[6a]3){6|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.0537	0.126	3	111.5398	7.322	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:2:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	111.5398	7.322	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|N<2>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){2|C<3>,2|N<2>}	107.5940	0.000	1	107.0104	0.438	5	107.0104	0.438	5	107.0104	0.438	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(N[6a]C[6a,6a])(C[5]C[5]C){1|O<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){2|C<3>,2|N<2>}	106.8645	0.665	4	107.0104	0.438	5	107.0104	0.438	5	107.0104	0.438	5	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:2:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:N[6a]-2:	C[5,6a]-3:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(N[6a]C[6a,6a]){1|S<4>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.0330	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:N[6a]-2:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a])	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[3,5]H)(C[6a]C[6a]2){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]N[6a])(C[5]C[6a]C[5])(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]C[5,6a]C[3,6]2)(C[5]C[5,6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	107.1815	0.091	2	107.1815	0.008	2	107.1815	0.008	2	107.1815	0.008	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	105.0565	0.380	2	105.0565	0.144	2	105.0565	0.144	2	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	105.5940	0.000	1	105.5940	0.000	1	106.0983	0.129	4	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.0900	0.000	1	106.0900	0.000	1	106.0983	0.129	4	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[5]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.3545	0.039	2	106.3545	0.002	2	106.0983	0.129	4	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.9010	0.000	1	104.9010	0.000	1	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.6090	0.000	1	104.4490	0.049	3	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.3690	0.243	2	104.4490	0.049	3	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[3]2){3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a]C[6a])(C[5]C[5]C){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.5120	0.000	1	104.5120	0.000	1	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	105.4975	0.477	2	105.4975	0.228	2	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.9560	0.000	1	104.9560	0.000	1	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.2300	0.000	1	104.5805	0.247	4	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	104.6973	0.537	3	104.5805	0.247	4	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	106.1300	0.081	2	106.1300	0.006	2	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	105.9815	0.489	2	105.9815	0.239	2	105.0785	0.537	16	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(COO){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]N[6]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<2>,1|N<3>,2|C<3>}	106.8800	0.000	1	106.8800	0.000	1	106.8800	0.000	1	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	106.4210	0.000	1	106.3010	0.029	2	106.3010	0.029	2	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	106.1810	0.000	1	106.3010	0.029	2	106.3010	0.029	2	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H){4|C<3>}	105.5450	0.000	1	105.5450	0.000	1	105.6890	0.016	3	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(N[5]C[5,6a])(H){1|N<2>,3|C<3>}	105.7610	0.000	2	105.7610	0.000	2	105.6890	0.016	3	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O){4|C<3>}	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	105.5075	0.644	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCC){1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){1|C<3>,1|N<3>}	103.5820	0.000	1	103.5820	0.000	1	105.2310	5.438	2	105.0307	2.840	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN){2|C<3>}	106.8800	0.000	1	106.8800	0.000	1	105.2310	5.438	2	105.0307	2.840	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	104.6300	0.000	1	104.6300	0.000	1	104.6300	0.000	1	105.0307	2.840	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:2:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]C){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a])(CH3){4|C<3>}	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	104.9182	0.457	5	104.9182	0.208	5	105.0679	0.258	7	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]O)(O){2|C<3>}	105.4420	0.567	2	105.4420	0.322	2	105.0679	0.258	7	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:B-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H){2|C<3>}	103.7230	0.000	1	103.7230	0.000	1	103.7230	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)2(Cl){2|C<3>}	105.2545	0.202	2	105.2545	0.041	2	105.2545	0.041	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCN){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	106.0180	0.184	3	106.0180	0.034	3	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	106.5090	0.420	2	106.5090	0.176	2	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	106.1560	0.625	4	106.1560	0.390	4	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H){4|C<3>}	104.7590	0.000	1	104.7590	0.000	1	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H){2|C<3>}	104.5335	0.081	2	104.8113	0.235	3	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(H){2|C<3>}	105.3670	0.000	1	104.8113	0.235	3	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	105.7120	0.095	2	105.7120	0.009	2	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	109.0385	0.163	2	109.0385	0.027	2	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CSeO){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H){2|C<3>}	107.7110	0.000	1	107.7110	0.000	1	106.2278	1.702	18	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(I){2|C<3>}	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(O){2|C<3>}	105.4560	0.000	1	105.4560	0.000	1	105.4560	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.4820	0.047	2	106.4820	0.002	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.9320	0.000	1	106.9320	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.7895	0.856	11	105.9098	0.561	17	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.6990	0.174	2	105.9098	0.561	17	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.3462	0.446	4	105.9098	0.561	17	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.4270	0.000	1	105.1755	0.125	13	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.5610	0.000	1	105.1755	0.125	13	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.1175	0.353	11	105.1755	0.125	13	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Cl)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	104.9520	0.000	1	104.9520	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.6230	0.000	1	105.6331	0.068	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.5966	0.239	11	105.6331	0.068	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.5445	0.036	2	105.6331	0.068	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.2210	0.000	1	105.6331	0.068	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.0890	0.000	1	105.1273	0.035	6	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.1350	0.209	5	105.1273	0.035	6	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.8755	0.247	2	105.8755	0.061	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	106.5736	0.203	11	106.5736	0.041	11	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	104.8715	0.220	2	104.8715	0.048	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.0085	0.203	2	106.0085	0.041	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.9220	0.025	2	105.9220	0.001	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.2360	0.000	1	105.3457	0.283	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.4225	0.228	2	105.3457	0.283	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.3420	0.595	12	105.3457	0.283	15	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.1070	0.000	1	105.1070	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.0730	0.000	1	105.3072	0.101	5	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.3657	0.335	4	105.3072	0.101	5	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.4390	0.000	1	105.4390	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.2760	0.000	1	105.2760	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.4570	0.000	1	105.8246	0.251	20	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.3360	0.000	1	105.8246	0.251	20	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.5611	0.405	7	105.8246	0.251	20	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.5500	0.000	1	105.8246	0.251	20	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.0221	0.471	10	105.8246	0.251	20	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.0630	0.296	2	105.0630	0.087	2	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(O){2|C<3>}	106.2780	0.000	1	106.2780	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	105.5740	0.000	1	105.5740	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	104.8330	0.958	3	104.8330	0.918	3	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.4310	0.165	2	105.4834	0.056	14	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.5172	0.255	10	105.4834	0.056	14	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]H)(O){2|C<3>}	105.3665	0.271	2	105.4834	0.056	14	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	102.3060	0.000	1	102.3060	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.9410	0.000	1	106.9410	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.0550	0.000	1	106.0550	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(O){2|C<3>}	106.1550	0.000	1	106.1550	0.000	1	105.6286	0.454	142	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.0940	0.000	1	105.0940	0.000	1	105.9010	0.632	3	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){4|C<3>}	105.9260	0.000	1	105.9260	0.000	1	105.9010	0.632	3	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(O){4|C<3>}	106.6830	0.000	1	106.6830	0.000	1	105.9010	0.632	3	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[5])(H){6|C<3>}	106.9425	0.006	2	106.9425	0.000	2	106.9425	0.000	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5])(O){1|C<4>,5|C<3>}	107.2175	0.186	2	107.2175	0.035	2	107.2175	0.035	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){4|C<3>}	104.5600	0.000	1	104.5600	0.000	1	104.2560	0.185	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H){1|N<2>,5|C<3>}	103.9520	0.000	1	103.9520	0.000	1	104.2560	0.185	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	103.9480	0.000	1	103.9480	0.000	1	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	104.3603	0.215	3	104.7100	0.358	5	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){4|C<3>}	104.7750	0.000	1	104.7100	0.358	5	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	105.6940	0.000	1	104.7100	0.358	5	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	104.1710	0.014	2	104.1710	0.000	2	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	104.3745	0.223	2	104.3745	0.050	2	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5])(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|O<2>,3|C<3>}	106.1950	0.000	1	106.1950	0.000	1	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	106.4380	0.000	1	106.4380	0.000	1	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]N[5]O){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]H)(O){1|S<2>,3|C<3>}	106.7330	0.000	1	106.7330	0.000	1	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[5]S[5]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C)(O){2|C<3>,2|S<2>}	107.4470	0.000	1	107.4470	0.000	1	105.1001	1.347	14	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	104.7370	0.097	4	104.4515	0.361	6	104.4515	0.361	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]H)(O){2|C<3>,2|C<4>}	103.8805	0.893	2	104.4515	0.361	6	104.4515	0.361	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-3:C[5]-3:Br-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2)	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]N[6,6a]C[5,6])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){1|Br<1>,1|N<2>,5|C<3>}	C[5](C[5,6]C[5,6,6a]N[6])(C[5]C[5,6a]C[6a])(Br){1|N<3>,4|C<3>}	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(H){1|H<1>,3|C<3>}	109.2665	0.071	2	109.2665	0.005	2	109.2665	0.005	2	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	107.9190	0.000	1	107.9190	0.000	1	107.1218	0.492	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(O){2|C<3>}	108.0540	0.000	1	108.0540	0.000	1	107.1218	0.492	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPdN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.7425	0.291	2	106.7425	0.084	2	107.1218	0.492	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NPtN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(O){2|C<3>}	106.6365	0.332	2	106.6365	0.110	2	107.1218	0.492	6	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5,6a]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5a])(O){1|H<1>,1|S<2>,4|C<3>}	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(N[5]C[5,6a]C)(O){4|C<3>}	105.4030	0.000	1	105.4030	0.000	1	105.4030	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6,6]C[3x6]2)(C[5]C[5]H){2|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6,6])(C[5]C[5,6a]H)(H){2|C<3>,2|C<4>}	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a]C)(O){2|C<3>,2|C<4>}	104.9800	0.000	1	104.9800	0.000	1	104.9800	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(H){6|C<3>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){1|Ru<5>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	109.0580	0.000	1	109.0580	0.000	1	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(H){4|C<3>}	107.9040	0.000	1	107.9040	0.000	1	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(H){4|C<3>}	108.5311	0.175	7	108.5311	0.031	7	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|P<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H){4|C<3>}	106.7785	0.240	2	106.7785	0.057	2	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	108.7470	0.000	1	108.2012	0.518	25	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<5>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]Ru)(H){4|C<3>}	108.1784	0.726	24	108.2012	0.518	25	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(H){1|N<2>,5|C<3>}	108.6430	0.000	1	108.6430	0.000	1	108.2138	0.514	37	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	105.7800	0.000	1	106.1337	0.128	3	106.1337	0.128	3	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a])2(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]O){2|H<1>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]){1|H<1>,1|O<1>,7|C<3>}	C[5](C[5]C[5,6a]C[6a])2(O){6|C<3>}	106.3105	0.261	2	106.1337	0.128	3	106.1337	0.128	3	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]N[5])(N[5]C[5,6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:P-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	106.0791	1.713	257	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,5|C<3>}	102.2180	0.000	1	102.2180	0.000	1	102.2180	0.000	1	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]){1|H<1>,3|C<3>}	106.8760	0.000	1	106.8760	0.000	1	107.5755	0.237	4	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NO){1|H<1>,3|C<3>}	107.8087	0.170	3	107.8087	0.029	3	107.5755	0.237	4	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NMnO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO){2|C<3>}	107.8028	0.658	6	107.8028	0.433	6	107.6172	0.432	8	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(NNiO){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(NO){2|C<3>}	107.0605	0.180	2	107.0605	0.033	2	107.6172	0.432	8	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]N[5])(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	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>}	108.6340	0.395	2	108.6340	0.156	2	108.6340	0.156	2	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	109.0630	0.000	1	109.1270	0.008	3	109.1270	0.008	3	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(SC[6a]){4|C<3>}	109.1590	0.098	2	109.1270	0.008	3	109.1270	0.008	3	107.6726	2.466	18	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){10|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2){10|C<3>}	126.2915	0.130	4	126.2915	0.017	4	126.2915	0.017	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:B[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(B[5]O[5]2){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]C){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	107.1885	0.073	2	107.1885	0.005	2	107.1885	0.005	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O){1|H<1>,3|C<3>}	108.7435	0.088	2	108.7435	0.008	2	108.7435	0.008	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH){2|C<3>}	107.7220	0.059	5	107.7220	0.003	5	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	107.3011	0.374	12	107.3011	0.140	12	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	105.5890	0.000	1	105.5890	0.000	1	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)2(CCH){2|C<3>}	106.1475	0.271	2	106.1475	0.073	2	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)2(CC[6a]H){2|C<3>}	107.0860	0.502	2	107.0860	0.252	2	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	105.8700	0.057	2	105.8700	0.003	2	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	105.8630	0.079	2	105.8630	0.006	2	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCO){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(COO){2|C<3>}	103.0630	0.000	1	103.0630	0.000	1	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O){2|C<3>}	105.1870	0.000	1	105.1870	0.000	1	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(COO){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(COO){2|C<3>}	109.6140	0.000	1	109.6140	0.000	1	106.8831	1.407	29	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCC){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.1220	0.000	1	105.1220	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4700	0.816	3	105.4700	0.666	3	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.8890	0.482	2	105.8890	0.233	2	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.1360	0.000	1	105.1360	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|I<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.2130	0.000	1	105.2130	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]B[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,2|O<2>,4|C<3>}	105.2930	0.000	1	105.2930	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.5590	0.000	1	105.5590	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	105.7667	0.103	3	105.8105	0.015	4	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	105.9420	0.000	1	105.8105	0.015	4	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.2110	0.000	1	105.2110	0.000	1	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<1>,1|H<1>,4|C<3>}	105.1510	0.000	1	104.9940	0.049	2	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.8370	0.000	1	104.9940	0.049	2	105.4678	0.208	17	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCO){2|C<3>}	106.1160	0.034	2	106.1160	0.001	2	106.2892	0.039	5	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	106.4140	0.000	1	106.4140	0.000	1	106.2892	0.039	5	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]C){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH){4|C<3>}	106.2320	0.000	1	106.2320	0.000	1	106.2892	0.039	5	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO)	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCO){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[6a]C[5])(C[5]C[5]C){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	106.5680	0.000	1	106.5680	0.000	1	106.2892	0.039	5	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){2|H<1>,6|C<3>}	128.7820	0.000	1	129.5525	1.187	2	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]H){3|H<1>,5|C<3>}	130.3230	0.000	1	129.5525	1.187	2	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	132.1110	0.000	1	132.1110	0.000	1	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	132.3730	0.000	1	132.8805	0.515	2	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	133.3880	0.000	1	132.8805	0.515	2	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	132.5400	0.337	2	132.5400	0.113	2	131.7224	2.567	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]N){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H){4|C<3>}	107.6500	0.160	2	107.6500	0.026	2	107.6500	0.026	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2){9|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	129.2350	0.000	1	129.2350	0.000	1	129.2350	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]C){8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]C[5]2){9|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH){4|C<3>}	107.7120	0.000	1	107.7120	0.000	1	107.7120	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6]C[6,6a]2){1|H<1>,9|C<3>}	108.4702	0.748	4	108.4702	0.560	4	108.4702	0.560	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]2){1|H<1>,9|C<3>}	108.4600	0.329	3	108.4600	0.109	3	108.4455	0.073	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	108.4020	0.000	1	108.4020	0.000	1	108.4455	0.073	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|F<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){2|F<1>,5|C<3>}	C[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|F<1>,8|C<3>}	111.6645	0.762	2	111.6645	0.580	2	111.6645	0.580	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:B[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F)	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|Br<1>,3|F<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]F){1|Br<1>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]2){2|F<1>,6|C<3>}	111.6520	0.000	1	111.6520	0.000	1	111.6520	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,1|S<4>,6|C<3>}	108.8880	0.477	3	108.7634	0.295	9	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,7|C<3>}	108.5870	0.000	1	108.7634	0.295	9	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.7240	0.675	5	108.7634	0.295	9	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.7930	0.000	1	108.7930	0.000	1	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.8685	0.197	4	109.7832	0.066	5	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	109.4420	0.000	1	109.7832	0.066	5	109.1053	0.434	15	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.0860	0.000	1	114.0860	0.000	1	114.0000	0.015	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:P[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	113.9140	0.000	1	113.9140	0.000	1	114.0000	0.015	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	B[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5])	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](N[5,6a]C[6a]B[5])(C[6a]N[5a,6a]C)(C[5]C[6a]C[5]){1|B<3>,1|C<4>,5|C<3>}	C[5](B[5]N[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	110.5980	0.000	1	110.5980	0.000	1	110.5980	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[3]Pd){1|H<1>,3|C<3>}	107.6065	0.449	2	107.6065	0.202	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[4]Zn){1|H<1>,3|C<3>}	107.0305	0.047	2	107.0305	0.002	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ag){1|H<1>,3|C<3>}	106.8200	0.000	1	106.8200	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	108.3950	0.000	1	108.3950	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H){1|H<1>,3|C<3>}	109.8390	0.000	1	109.8390	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co){1|H<1>,3|C<3>}	108.1970	0.861	24	108.1970	0.741	24	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC){1|H<1>,3|C<3>}	108.7725	0.411	2	108.7725	0.169	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cr){1|H<1>,3|C<3>}	108.8317	0.275	3	108.8317	0.076	3	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Cu){1|H<1>,3|C<3>}	107.3669	0.273	14	107.3669	0.074	14	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe){1|H<1>,3|C<3>}	107.4658	0.806	18	107.4658	0.650	18	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC){1|H<1>,3|C<3>}	107.7203	1.022	10	107.7203	1.045	10	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C){1|H<1>,3|C<3>}	107.6560	0.000	1	107.6560	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ir){1|H<1>,3|C<3>}	107.7465	0.352	6	107.7465	0.124	6	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC){1|H<1>,3|C<3>}	106.9700	0.000	1	106.9700	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mo){1|H<1>,3|C<3>}	107.7013	0.471	4	107.7013	0.221	4	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	107.4495	0.177	2	107.4495	0.032	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ni){1|H<1>,3|C<3>}	107.5087	0.743	103	107.5087	0.552	103	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pd){1|H<1>,3|C<3>}	107.4466	0.670	14	107.4466	0.448	14	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Pt){1|H<1>,3|C<3>}	107.9253	0.755	16	107.9253	0.571	16	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Ru){1|H<1>,3|C<3>}	107.3288	0.390	6	107.3288	0.152	6	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sb){1|H<1>,3|C<3>}	106.8070	0.583	2	106.8070	0.339	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Sn){1|H<1>,3|C<3>}	107.6150	0.242	2	107.6150	0.058	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Te){1|H<1>,3|C<3>}	107.1215	0.352	4	107.1215	0.124	4	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn){1|H<1>,3|C<3>}	107.0746	0.271	32	107.0746	0.073	32	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Co){1|H<1>,3|C<3>}	108.4980	0.075	2	108.4980	0.006	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NCoO){1|H<1>,3|C<3>}	107.8220	0.000	1	107.8220	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NFeC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Fe){1|H<1>,3|C<3>}	107.2613	0.954	10	107.2613	0.909	10	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMnC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Mn){1|H<1>,3|C<3>}	107.2510	0.000	1	107.2510	0.000	1	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NMoSi){1|H<1>,3|C<3>}	106.8150	0.355	2	106.8150	0.126	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NZnC){1|H<1>,3|C<3>}	105.8965	0.006	2	105.8965	0.000	2	107.5393	0.594	289	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	108.9930	0.000	1	108.9930	0.000	1	108.8897	0.166	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CNO){2|C<3>}	109.1890	0.000	1	109.1890	0.000	1	108.8897	0.166	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	108.2900	0.000	1	108.2900	0.000	1	108.8897	0.166	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(COO){2|C<3>}	109.0870	0.000	1	109.0870	0.000	1	108.8897	0.166	4	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)2(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)2(C[5]C[5]2){2|O<1>,4|C<3>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N){1|Pt<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]O)(NC[5]Pt){1|N<3>,3|C<3>}	108.4960	0.065	2	108.4960	0.004	2	108.2327	0.210	3	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]C[5]N){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H){1|O<2>,3|C<3>}	107.7060	0.000	1	107.7060	0.000	1	108.2327	0.210	3	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O[6])(C[5]C[6a]C[5]){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C){4|C<3>}	109.1850	0.000	1	109.1850	0.000	1	109.1950	0.122	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCC){4|C<3>}	109.6080	0.000	1	109.6080	0.000	1	109.1950	0.122	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	109.0132	0.330	4	109.0132	0.109	4	109.1950	0.122	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(COO){4|C<3>}	109.5190	0.000	1	109.5190	0.000	1	109.1950	0.122	7	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]2){1|O<1>,7|C<3>}	109.4295	0.114	2	109.4295	0.013	2	109.4295	0.013	2	108.2557	15.552	408	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CF3){2|C<3>}	104.5780	0.246	2	104.5780	0.061	2	104.5780	0.061	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	105.8230	0.000	1	105.8230	0.000	1	105.7995	0.001	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	105.7760	0.000	1	105.7760	0.000	1	105.7995	0.001	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(SiC3){2|C<3>}	105.8325	0.258	2	105.8325	0.067	2	105.8325	0.067	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5a]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5]C[5]S[5]){1|C<4>,1|H<1>,1|S<2>,4|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<4>,5|C<3>}	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	108.8200	0.000	1	108.8500	0.002	2	108.8500	0.002	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	108.8800	0.000	1	108.8500	0.002	2	108.8500	0.002	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<4>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH){1|H<1>,3|C<3>}	107.4595	0.110	2	107.4595	0.012	2	107.4595	0.012	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHN){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HP){2|C<3>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])(S[5]C[5,6a]OO){1|C<4>,1|N<2>,1|S<2>,4|C<3>}	114.1630	0.000	1	114.1630	0.000	1	113.9450	0.095	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5a]S[5]){1|C<4>,1|H<1>,1|S<2>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])(S[5]C[5,6a]OO){1|C<4>,1|S<2>,5|C<3>}	113.7270	0.000	1	113.7270	0.000	1	113.9450	0.095	2	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	108.5420	0.000	1	108.6225	0.013	2	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]C)(CCHH){4|C<3>}	108.7030	0.000	1	108.6225	0.013	2	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){4|C<3>}	108.2265	0.296	2	108.2265	0.088	2	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCFF){4|C<3>}	107.8380	0.000	1	107.8380	0.000	1	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CCHH){4|C<3>}	109.7860	0.000	1	109.7860	0.000	1	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	109.6370	0.000	1	109.6370	0.000	1	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3){4|C<3>}	109.6690	0.000	1	109.6690	0.000	1	108.8285	0.595	8	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]P){1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(PO3){4|C<3>}	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	108.5407	6.434	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]2){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	107.3765	0.037	2	107.3765	0.001	2	107.3765	0.001	2	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5a])(C[5,5]C[5,6a]3)(H){8|C<3>}	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br){4|C<3>}	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	108.2970	0.000	1	108.2970	0.000	1	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	108.2120	0.000	1	108.2120	0.000	1	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	108.3400	0.000	1	108.2002	0.603	4	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	108.4370	1.141	2	108.2002	0.603	4	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	107.5870	0.000	1	108.2002	0.603	4	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(H){4|C<3>}	108.6820	0.000	1	108.6820	0.000	1	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	108.6840	0.000	1	108.6840	0.000	1	108.3345	0.306	8	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){4|H<1>,5|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]){4|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(H){4|C<3>}	108.6250	0.277	4	108.6250	0.077	4	108.6250	0.077	4	108.2591	0.304	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	N[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5,6a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(C[5a]C[5a]2){1|C<4>,1|S<2>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a])(S[5]C[5,6a]OO)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,5|C<3>}	113.7092	0.271	4	113.7092	0.073	4	113.7092	0.073	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	109.8010	0.000	1	109.4843	0.060	4	109.4843	0.060	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5,5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,2|H<1>}	109.3787	0.151	3	109.4843	0.060	4	109.4843	0.060	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	107.6750	0.000	1	107.6750	0.000	1	107.6750	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:P[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]HW)(C[6a]C[6a]2){2|H<1>,6|C<3>}	114.2800	0.000	1	114.2800	0.000	1	114.6810	0.322	2	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:P[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	115.0820	0.000	1	115.0820	0.000	1	114.6810	0.322	2	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5])(C[6a]C[6a]2){2|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]2){2|H<1>,6|C<3>}	113.9881	0.291	8	113.9881	0.085	8	113.9881	0.085	8	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:Si[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]2){2|H<1>,6|C<3>}	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]2)(C[5]C[5,6a]HH)(C[5]C[5,6a]P){6|C<3>}	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	109.4095	0.629	2	109.4095	0.395	2	109.1912	0.410	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(COO){4|C<3>}	108.4060	0.000	1	108.4060	0.000	1	109.1912	0.410	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	109.5400	0.000	1	109.5400	0.000	1	109.1912	0.410	4	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	109.6480	0.000	1	109.8920	0.119	2	109.8920	0.119	2	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	110.1360	0.000	1	109.8920	0.119	2	109.8920	0.119	2	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(NOO){4|C<3>}	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	111.4852	8.372	30	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C){1|Ru<6>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CRu2C){1|N<3>,3|C<3>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5]C){1|S<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	109.3340	0.000	1	109.3340	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	109.8710	0.000	1	109.8710	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(CHHO){4|C<3>}	109.7750	0.000	1	109.7750	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC[6a]HH){4|C<3>}	109.2930	0.000	1	109.2930	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	109.4560	0.000	1	109.4560	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CCCH){4|C<3>}	108.8430	0.000	1	108.8430	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CC[6a]HH){4|C<3>}	109.3320	0.000	1	109.3320	0.000	1	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	109.3080	0.000	1	109.2845	0.001	2	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(CH3){4|C<3>}	109.2610	0.000	1	109.2845	0.001	2	109.3859	0.090	9	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(SC[6a]OO){4|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:S[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]S[5]C){2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(S[5]C[5,6a]OO)(CH3){4|C<3>}	113.4670	0.000	1	113.4670	0.000	1	113.4670	0.000	1	109.5919	1.773	12	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCO){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	108.8230	0.000	1	108.8230	0.000	1	109.3150	0.374	3	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H){2|C<3>}	109.1220	0.000	1	109.1220	0.000	1	109.3150	0.374	3	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C)(H){4|C<3>}	110.0000	0.000	1	110.0000	0.000	1	109.3150	0.374	3	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	105.8570	0.000	1	105.8570	0.000	1	107.3660	1.055	4	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(O){2|C<3>}	107.8690	0.255	3	107.8690	0.065	3	107.3660	1.055	4	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(H){1|N<3>,1|O<1>,6|C<3>}	108.5108	0.235	4	108.5108	0.055	4	108.5290	0.038	6	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(H){1|H<1>,7|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.5290	0.038	6	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(H){1|C<4>,1|O<1>,6|C<3>}	108.6660	0.000	1	108.6660	0.000	1	108.5290	0.038	6	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|C<4>,1|S<4>,6|C<3>}	108.3520	0.000	1	107.7637	0.917	3	107.7533	0.611	4	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(I){1|H<1>,7|C<3>}	107.4695	1.146	2	107.7637	0.917	3	107.7533	0.611	4	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]C[6a])(I){7|C<3>}	107.7220	0.000	1	107.7220	0.000	1	107.7533	0.611	4	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(H){1|C<4>,2|H<1>,6|C<3>}	108.7225	0.128	2	108.7225	0.016	2	108.7225	0.016	2	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	110.4320	0.000	1	110.4320	0.000	1	110.4320	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5]N){3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	110.4330	0.000	1	110.4330	0.000	1	110.4330	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	107.7620	0.000	1	107.7620	0.000	1	108.0940	0.220	2	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PClN){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	108.4260	0.000	1	108.4260	0.000	1	108.0940	0.220	2	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5a])(H){8|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.4170	0.050	2	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H){6|C<3>}	108.2590	0.000	1	108.2590	0.000	1	108.4170	0.050	2	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H)	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[5]H){2|H<1>,6|C<3>}	C[5,6a](C[6a]C[5a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]){1|C<2>,1|S<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[5a])(H){1|S<2>,5|C<3>}	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(H){2|C<4>,4|C<3>,4|H<1>}	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H){6|C<3>}	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:I-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]I){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]N)(C[5]C[5,6a]C[6a])(I){6|C<3>}	107.8400	0.324	3	107.8400	0.105	3	107.8400	0.105	3	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:1:	C[5,6a]-3:P-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	108.3295	0.892	32	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[4,5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]C[6a])(OC){1|C<4>,7|C<3>}	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	106.4255	0.013	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC){6|C<3>}	106.3460	0.000	1	106.3460	0.000	1	106.3460	0.000	1	106.4255	0.013	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|H<1>,5|C<3>}	108.5670	0.000	1	108.5670	0.000	1	108.5375	0.002	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CSiC){1|Si<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.5080	0.000	1	108.5080	0.000	1	108.5375	0.002	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCH){2|C<3>}	111.4250	0.130	2	111.4250	0.017	2	111.4250	0.017	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,8|C<3>}	109.1300	0.000	1	109.1300	0.000	1	109.6855	0.617	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	110.2410	0.000	1	110.2410	0.000	1	109.6855	0.617	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]P[5])(C[5a]C[5a]2){1|C<4>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|S<2>,7|C<3>}	113.7860	0.000	1	113.7860	0.000	1	113.7860	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6,6a]C[6]H)(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,4|C<3>}	108.5630	0.175	2	108.5630	0.031	2	108.5630	0.031	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5])	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]2)(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]O[5])(C[5]C[6a]C[5]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	109.1840	0.000	1	109.1840	0.000	1	109.1840	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	B[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|F<1>}	112.5440	0.000	1	112.5440	0.000	1	112.5440	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|S<1>,2|H<1>,8|C<3>}	109.6810	0.000	1	109.6810	0.000	1	109.7154	0.063	5	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|S<4>,3|H<1>,8|C<3>}	110.0510	0.000	1	110.0510	0.000	1	109.7154	0.063	5	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,5|H<1>,7|C<3>}	109.5295	0.250	2	109.6150	0.053	3	109.7154	0.063	5	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	109.7860	0.000	1	109.6150	0.053	3	109.7154	0.063	5	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(COO){1|C<4>,2|H<1>,6|C<3>}	108.7305	0.057	2	108.7305	0.003	2	108.7305	0.003	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	109.5730	0.000	1	109.3250	0.123	2	109.1895	0.066	4	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	109.0770	0.000	1	109.3250	0.123	2	109.1895	0.066	4	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	109.0370	0.000	1	109.0370	0.000	1	109.1895	0.066	4	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.1895	0.066	4	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,1|S<4>,2|C<4>,6|C<3>}	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	113.4400	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,9|C<3>}	113.8630	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	113.7910	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.2510	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,8|C<3>}	114.8110	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.5660	0.000	1	114.1203	0.266	6	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|W<6>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.3510	0.400	2	114.3510	0.160	2	114.1780	0.224	8	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](Si[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){10|C<3>,2|H<1>}	116.4015	0.031	4	116.4015	0.001	4	116.4015	0.001	4	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5])	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[6a]C[5]){7|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	109.1860	0.000	1	109.1860	0.000	1	109.1860	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,8|C<3>}	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O){4|C<3>}	109.4140	0.000	1	109.4140	0.000	1	109.2960	0.028	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CCO){2|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.2960	0.028	2	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	109.4075	0.221	2	109.4075	0.049	2	109.2907	0.065	3	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5]C[5,6a]C[5,5]H)(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|N<3>,1|O<2>,5|C<3>}	109.0570	0.000	1	109.0570	0.000	1	109.2907	0.065	3	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]C[5]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	109.3750	0.000	1	109.3750	0.000	1	109.3750	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	113.7100	0.402	2	113.7100	0.161	2	113.8913	0.179	3	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5a]P[5]){1|C<4>,1|H<1>,1|N<2>,1|S<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<1>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[5a])(C[5a]C[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,6|C<3>}	114.2540	0.000	1	114.2540	0.000	1	113.8913	0.179	3	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	108.4980	0.000	1	108.4980	0.000	1	108.4980	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]2){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,9|C<3>}	109.3300	0.000	1	109.3300	0.000	1	109.3300	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]N){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(NCH){6|C<3>}	107.5440	0.000	1	107.5440	0.000	1	107.5440	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CNO){6|C<3>}	113.7940	0.000	1	113.7940	0.000	1	113.7940	0.000	1	111.2637	7.353	50	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	S[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(CCC){1|H<1>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCHH){2|C<3>}	115.0880	0.033	2	115.0880	0.001	2	115.0880	0.001	2	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3){1|O<1>,7|C<3>}	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NHS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CH3){2|C<3>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(CCHH){6|C<3>}	109.8350	0.000	1	109.8350	0.000	1	109.4003	0.171	3	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	109.0110	0.000	1	109.1830	0.059	2	109.4003	0.171	3	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C){1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]S)(C[5]C[5,6a]C[6a])(CC[6a]HS){6|C<3>}	109.3550	0.000	1	109.1830	0.059	2	109.4003	0.171	3	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	107.6450	0.000	1	107.6450	0.000	1	107.9342	0.189	4	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	107.8510	0.511	2	107.8510	0.261	2	107.9342	0.189	4	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]S){4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]C[6a])(SC[6a]OO){6|C<3>}	108.3900	0.000	1	108.3900	0.000	1	107.9342	0.189	4	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]C){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(CCHO){6|C<3>}	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:3:	3:3:3:	4:3:4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	P[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]P){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,4|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C[6a])(PC[6a]2O){6|C<3>}	114.4350	0.000	1	114.4350	0.000	1	114.4350	0.000	1	110.8552	8.815	13	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]2)(C[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	105.4710	0.000	1	105.4710	0.000	1	105.4710	0.000	1	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.8150	0.000	1	106.8150	0.000	1	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCCO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	107.2600	0.000	1	107.2600	0.000	1	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.0460	0.000	1	106.5090	0.102	4	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.6633	0.101	3	106.5090	0.102	4	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6]HH){1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	105.7920	0.000	1	105.7920	0.000	1	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CC[6a]CO){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	106.6840	0.000	1	106.6840	0.000	1	106.5734	0.211	8	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:1:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]H)(CCCH){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(H){2|C<3>}	105.9740	0.000	1	105.9740	0.000	1	105.9740	0.000	1	106.4032	0.307	10	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	106.8990	0.000	1	106.8990	0.000	1	106.8990	0.000	1	108.2350	13.540	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:Se[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]Se[5]C)(CBrHH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O){2|C<3>}	113.7290	0.000	1	113.7290	0.000	1	113.7290	0.000	1	108.2350	13.540	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	106.0930	0.000	1	106.1560	0.008	2	106.1560	0.008	2	108.2350	13.540	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5,6a]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5]-3:N[5]-2:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CCCH){3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]N[5])(C[5]C[5]C){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	106.2190	0.000	1	106.1560	0.008	2	106.1560	0.008	2	108.2350	13.540	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<3>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]B)(C[5]C[5,6a]C)(H){2|C<3>}	106.8260	0.000	1	106.8260	0.000	1	108.8443	0.990	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CF3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)2(H){2|C<3>}	109.2480	0.122	5	109.2480	0.015	5	108.8443	0.990	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]P){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	106.6840	0.000	1	106.6840	0.000	1	106.5052	0.137	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	105.7970	0.000	1	105.7970	0.000	1	106.5052	0.137	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]P)(H){4|C<3>}	106.6355	0.286	2	106.6355	0.082	2	106.5052	0.137	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]3){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	106.6690	0.000	1	106.6690	0.000	1	106.5052	0.137	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]CC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(H){2|C<3>}	106.6100	0.000	1	106.6100	0.000	1	106.5052	0.137	6	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SC[6a]OO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]S)(H){2|C<3>}	108.9920	0.000	1	108.9920	0.000	1	108.9920	0.000	1	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5](C[5]C[5,6a]Si)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|Si<4>,1|C<3>,3|H<1>}	C[5](C[5]C[5,6a]Si)2(H){2|C<3>}	104.7940	0.170	4	104.7940	0.029	4	104.7940	0.029	4	107.0744	3.184	17	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:2:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CHHN){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(OC){2|C<3>}	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a]-3:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C)	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2	C[5](C[5,6a]C[5,6a]2)(C[5]C[5a]C[5])(CC[5]FF){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[5])(C[5]C[5]C){1|C<4>,6|C<3>}	C[5](C[5a]C[5a,6a]2)(C[5]C[5,6a]C)2{6|C<3>}	107.1555	1.003	2	107.1555	1.007	2	107.1555	1.007	2	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H){2|C<3>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:C[6]-4:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a,6a]2){2|H<1>,9|C<3>}	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]AlH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Al){1|H<1>,3|C<3>}	111.3290	0.007	2	111.3290	0.000	2	111.3290	0.000	2	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC){2|C<3>}	105.4210	0.028	3	105.4210	0.001	3	105.4210	0.001	3	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(SPtC){2|C<3>}	106.0990	0.000	1	106.0990	0.000	1	106.0990	0.000	1	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S){1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]N[6a])(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.3070	0.219	2	110.3070	0.048	2	110.7270	0.258	4	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.1470	0.147	2	111.1470	0.022	2	110.7270	0.258	4	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]Si)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.7391	5.441	16	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:S[5]-3:C[3]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]S[5])(BC[6a]3){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]B)(S[5]C[5,6a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	108.8930	0.263	4	108.8930	0.069	4	109.1143	0.149	7	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]CH){1|H<1>,3|C<3>}	109.4093	0.337	3	109.4093	0.113	3	109.1143	0.149	7	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	108.9800	0.000	1	108.9800	0.000	1	108.9800	0.000	1	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)2(SiC[6a]3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH){1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)2(SiC[6a]3){2|C<3>}	108.5450	0.460	2	108.5450	0.211	2	108.5450	0.211	2	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|B<3>,1|C<3>,1|H<1>,1|O<1>}	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){1|B<3>,1|C<3>}	108.6870	0.000	1	108.6870	0.000	1	108.9140	0.103	2	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:C-4:	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH)	C[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	C[5](C[5]C[5,6a]C)(C[5]N[5,6a]O)(CCHH){2|C<3>}	109.1410	0.000	1	109.1410	0.000	1	108.9140	0.103	2	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PAuCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NAuCC){2|C<3>}	105.5180	0.000	1	105.5180	0.000	1	105.8158	0.095	5	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	105.9390	0.000	1	105.9390	0.000	1	105.8158	0.095	5	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	105.8740	0.364	3	105.8740	0.132	3	105.8158	0.095	5	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]2Ru){2|C<3>}	106.4480	0.000	1	106.4480	0.000	1	106.4840	0.003	2	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(PRuCC){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(PC[6a]RuH){2|C<3>}	106.5200	0.000	1	106.5200	0.000	1	106.4840	0.003	2	108.0699	2.906	20	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5]2H){1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	109.5680	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(BC[6a]2N){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H){2|C<3>}	107.1050	0.243	2	107.1050	0.059	2	107.1050	0.059	2	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[3,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	C[5](C[3,5]C[5,6a]C[3]2)(C[5]C[5,6a]C)(H){2|C<3>,4|H<1>}	107.4110	0.000	1	107.4110	0.000	1	107.4110	0.000	1	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	110.4090	0.000	1	110.4090	0.000	1	110.6425	0.109	2	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]H)(CF3){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	110.8760	0.000	1	110.8760	0.000	1	110.6425	0.109	2	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]H)(CCCH){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]B[6]C[6])(C[5]C[5,6a]C)(H){1|H<1>,1|O<3>,6|C<3>}	108.3560	0.096	2	108.3560	0.009	2	108.3560	0.009	2	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,4|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]C)(H){2|C<3>}	108.1110	0.000	1	108.1110	0.000	1	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[5]Ru)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH){1|Ru<6>,1|C<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ru<6>,1|C<3>,1|C<5>,3|H<1>}	C[5](C[5]C[5,6a]C[5]Ru)(C[5]C[5,6a]C)(H){1|Ru<7>,2|C<3>,2|C<4>}	107.6590	0.000	1	107.6590	0.000	1	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	108.3292	0.260	5	108.3292	0.068	5	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	108.7630	0.000	1	108.7630	0.000	1	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]HH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(H){2|C<3>}	108.4650	0.000	1	108.4650	0.000	1	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHHN){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[3]H)(C[5]C[5,6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	108.8970	0.000	1	108.8970	0.000	1	108.3541	0.143	10	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PAuCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(H){2|C<3>}	108.7553	0.353	3	108.7553	0.124	3	108.8067	0.094	4	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H){2|C<3>}	108.9610	0.000	1	108.9610	0.000	1	108.8067	0.094	4	108.4946	0.832	21	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr){2|C<3>}	108.1910	0.000	1	108.1910	0.000	1	107.7545	1.103	6	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(ORh){2|C<3>}	108.0330	0.000	1	108.0330	0.000	1	107.7545	1.103	6	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PIrCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OIr){2|C<3>}	108.6945	0.337	2	108.6945	0.114	2	107.7545	1.103	6	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(PRuCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(OSi){2|C<3>}	106.4570	0.000	2	106.4570	0.000	2	107.7545	1.103	6	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIr){2|C<3>}	108.7080	0.458	2	108.7080	0.210	2	108.7153	0.105	3	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){1|Si<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Si<3>,1|C<3>,1|S<2>,3|H<1>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]P)(SIr){2|C<3>}	108.7300	0.000	1	108.7300	0.000	1	108.7153	0.105	3	108.0748	0.947	9	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:P-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B)	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]B)(PC[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]P)(BC[6a]2F){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]F)(C[5]C[5]B){1|P<3>,2|F<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]B)(PC[6a]2){6|C<3>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	109.0140	0.000	1	109.0140	0.000	1	109.0353	0.016	3	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	109.1710	0.000	1	109.1710	0.000	1	109.0353	0.016	3	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<2>,5|C<3>,5|H<1>}	108.9210	0.000	1	108.9210	0.000	1	109.0353	0.016	3	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	108.4530	0.000	1	108.4530	0.000	1	108.9292	0.948	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CC[5]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	109.1930	0.000	1	109.1930	0.000	1	108.9292	0.948	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a])(CH3){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	109.0000	1.320	3	109.0000	1.741	3	108.9292	0.948	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCCH){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]P[6]H)(C[5]C[5,6a]C)(CCC){1|O<1>,2|C<3>,2|O<2>}	110.2660	0.000	1	110.2660	0.000	1	109.0482	1.119	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HH){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]C)(CPdN){2|C<3>}	109.7980	0.000	1	109.7980	0.000	1	109.0482	1.119	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	109.2540	0.000	1	109.2540	0.000	1	109.0482	1.119	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO){2|C<3>}	108.0750	0.000	1	108.0750	0.000	1	109.0482	1.119	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(COO){2|C<3>}	107.8480	0.000	1	107.8480	0.000	1	109.0482	1.119	5	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.9155	1.234	2	108.9155	1.523	2	108.8610	0.512	4	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]HH){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|F<1>,4|C<3>}	108.8065	0.050	2	108.8065	0.003	2	108.8610	0.512	4	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	Si[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]Si[5])(CCHH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5](Si[5]C[5,6a]ClC)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	115.6800	0.000	1	115.6800	0.000	1	115.6800	0.000	1	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2Ru){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6a]C[6a]2){2|C<4>,4|C<3>}	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	107.5140	0.000	1	107.5140	0.000	1	107.2969	0.274	7	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	107.6760	0.000	1	107.6760	0.000	1	107.2969	0.274	7	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	107.1776	0.588	5	107.1776	0.346	5	107.2969	0.274	7	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PIrCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SIrC){2|C<3>}	107.8520	0.000	1	107.8520	0.000	1	108.4560	0.433	4	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){1|B<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|B<4>,1|C<3>,1|S<3>,3|H<1>}	C[5](C[5]C[5,6a]BH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	108.9740	0.000	1	108.9740	0.000	1	108.4560	0.433	4	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(PPtCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(SPtC){2|C<3>}	108.4990	0.815	2	108.4990	0.664	2	108.4560	0.433	4	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(SiC[6a]CC){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	108.8042	3.085	33	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	109.3335	0.418	2	109.3335	0.175	2	109.0632	0.213	8	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CH3){2|C<3>}	109.5650	0.000	1	109.5650	0.000	1	109.0632	0.213	8	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Al<5>,1|Si<5>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Al<5>,1|Si<5>,1|C<3>,3|C<4>}	C[5](C[5]C[5,6a]AlSi)(C[5]C[5,6a]C)(CH3){2|C<3>}	108.7880	0.380	2	108.7880	0.145	2	109.0632	0.213	8	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C)	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]C){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]C)(CH3){2|C<3>}	108.8993	0.520	3	108.8993	0.270	3	109.0632	0.213	8	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO){2|C<3>}	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	P[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CCHH){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCHH){4|C<3>}	114.6970	0.000	1	114.6970	0.000	1	114.6970	0.000	1	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,2|C<4>,2|H<1>}	109.2940	0.082	2	109.0027	0.258	3	109.0027	0.258	3	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])(PC[6]2Ru){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(C[6]C[6]2Ru){2|C<3>,4|C<4>}	108.4200	0.000	1	109.0027	0.258	3	109.0027	0.258	3	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PIrCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NIrCC){2|C<3>}	108.1710	0.000	1	108.1710	0.000	1	108.6002	0.167	12	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PPtCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NPtCC){2|C<3>}	108.6545	0.192	2	108.6545	0.037	2	108.6002	0.167	12	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRhCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRhCC){2|C<3>}	108.7659	0.233	8	108.7659	0.054	8	108.6002	0.167	12	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:3:4:	3:3:3:	4:3:4:	C[5,6a]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PRuCC){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC){2|C<3>}	107.5950	0.000	1	107.5950	0.000	1	108.6002	0.167	12	109.0008	1.675	25	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]H){1|C<4>,1|W<7>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6])(N[5]C[5,6a])(H){1|H<1>,2|C<3>,2|C<4>}	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	105.7470	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]2H)(C[5]C[5]H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|N<3>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	106.8190	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]3)(C[5]C[5]H){1|Mo<8>,2|C<3>,4|C<4>,7|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H){2|C<3>,3|C<4>}	108.0930	0.000	1	108.0930	0.000	1	108.0930	0.000	1	108.2550	0.340	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){3|C<3>,3|H<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	107.5000	0.000	1	107.5000	0.000	1	108.3090	0.493	3	108.2550	0.340	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.6660	0.000	1	108.7135	0.005	2	108.3090	0.493	3	108.2550	0.340	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6]H)(C[5]C[5]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.7610	0.000	1	108.7135	0.005	2	108.3090	0.493	3	108.2550	0.340	4	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[5]Re)(C[5]C[5]C){3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Re<8>,1|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|Re<8>,2|C<3>,2|C<4>}	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	109.2030	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]C[5]H){2|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5]C[5,6a]C[6]2)(C[5]C[5,6a]C[6])(H){2|C<3>,3|H<1>,6|C<4>}	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	4:3:3:	C[5,6a]-3:C[4]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4])	C[5](C[5,6a]C[5,6a]C[6a])(C[4]C[4]2H)(C[5]C[5]C){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4]){1|H<1>,2|C<4>,4|C<3>}	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	4:3:4:	C[5,6a]-3:P-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:N-4:	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC)	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Ru)(C[5]C[5]N){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NRuCC){2|C<3>}	108.9335	0.022	2	108.9335	0.000	2	108.9335	0.000	2	109.4740	0.877	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	3:4:3:	3:3:3:	4:3:4:	C[5,6a]-3:P-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5]-3:P-4:	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC)	C[5](C[5,6a]C[5,6a]C[6a])(PC[6a]2Pt)(C[5]C[5]P){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,4|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(PPtCC){2|C<3>}	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	109.4740	0.877	3	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:2:1:	C[5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5]-3:N[5]-2:H-1:	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a])(H)	C[5](C[5]C[5,6a]C[5a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a])(H){5|C<3>}	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5]-3:N-3:	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	C[5](C[5,6]C[6,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]N){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	108.7685	1.288	2	108.7685	1.658	2	108.7685	1.658	2	108.7685	1.658	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	6:3:3:	3:3:3:	3:4:1:	B[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H)	C[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|C<6>,2|C<3>,2|C<4>,4|B<6>,6|H<1>}	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|C<4>,3|H<1>,4|B<6>}	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H){1|C<6>,2|C<3>,4|B<6>}	107.3570	0.000	1	107.3570	0.000	1	107.3570	0.000	1	108.1465	1.247	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	5:SP2_SP2_SP2	C[5]	C[5,6a]	C[5]	6:3:3:	3:3:3:	3:4:1:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[5]-3:C[5]-4:H-1:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){2|C<3>,5|B<6>,8|H<1>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,5|H<1>}	C[5](C[5]C[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]HH)(H){1|C<6>,2|C<3>,4|B<6>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.1465	1.247	2	107.7065	9.875	2021	108.0366	12.066	2665
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru){1|Ru<5>,3|C<4>,7|C<3>}	120.9375	0.252	2	120.9375	0.064	2	120.9615	0.029	4	120.9615	0.029	4	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])2(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<3>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6a]C[3,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru){1|Ru<5>,3|C<4>,7|C<3>}	120.9855	0.145	2	120.9855	0.021	2	120.9615	0.029	4	120.9615	0.029	4	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,3x6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,2|C<4>,4|H<1>}	121.8765	0.353	2	121.8765	0.125	2	121.8765	0.125	2	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){3|C<4>,6|C<3>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,6|C<4>}	121.1500	0.000	1	121.1500	0.000	1	121.1500	0.000	1	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){1|H<1>,8|C<3>}	120.4240	0.000	1	120.4240	0.000	1	120.4240	0.000	1	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,5,3x6]-4:C[5,5,3x6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,5,3x6]2){4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,3x6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	C[5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])2(C[5,6,6]C[5,6,6a]2){10|C<3>,6|C<4>}	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){8|C<3>}	121.7540	0.000	1	121.7540	0.000	1	120.4223	1.333	3	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|C<4>,1|P<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|Os<5>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){8|C<3>}	119.8150	0.000	1	119.7565	0.007	2	120.4223	1.333	3	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2){1|Os<5>,1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]Os)(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6,6]C[5,6,6a]2){1|H<1>,8|C<3>}	119.6980	0.000	1	119.7565	0.007	2	120.4223	1.333	3	121.0162	0.853	8	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	118.8310	0.000	1	118.8310	0.000	1	119.3100	0.174	4	119.3100	0.174	4	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2{5|C<4>,6|C<3>}	119.4697	0.330	3	119.4697	0.109	3	119.3100	0.174	4	119.3100	0.174	4	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	3:4:4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6]C[5,6,6]2){3|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2Cl)2{2|Cl<1>,3|C<4>,5|C<3>}	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	123.4400	0.000	1	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[3,5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2	C[5,6,6](C[5,6,6]C[3,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6]2Ru)(C[5,6,6a]C[5,6,6a]2){1|Ru<5>,4|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){2|Ru<5>,4|C<4>,5|C<3>}	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]C[3])(C[5,6,6]C[5,6,6a]C[5,6,6])2{1|Ru<5>,3|C<4>,7|C<3>}	121.6028	0.646	4	121.6028	0.418	4	121.6028	0.418	4	120.1517	3.634	7	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	118.5935	0.224	2	118.5935	0.050	2	118.2170	0.450	3	120.1517	3.634	7	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	3:4:3:	3:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	117.4640	0.000	1	117.4640	0.000	1	118.2170	0.450	3	120.1517	3.634	7	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6]	4:3:3:	3:3:3:	4:3:4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){5|C<4>,6|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	110.4800	0.000	1	120.1679	6.007	25	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	4:3:4:	C[5a,6]-3:C[5,6]-3:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5])(C[5]N[5]O){1|H<1>,1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[5,6]C[5,6]C[5]){1|O<1>,2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	124.0230	16.095	5	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:4:	3:3:3:	3:4:3:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5,6]-3:C[5a,6]-3:C[5a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H)	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5,6]C[5,6]C[5])(C[5a,6]C[5a]C[6])(C[5a]O[5a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]SiH)(C[5]O[5]O){2|C<3>,4|H<1>}	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	124.0230	16.095	5	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[5a,6]-3:S[5]-4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	P[6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H)	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5])	C[5,6](C[5,6]C[5,6a]P[6,6])(C[5a,6]C[5a,6]C[5a])(S[5]C[5,6a]OO){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H){1|Ni<4>,1|P<4>,2|O<1>,4|C<3>}	C[5,6](P[6,6]C[5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]S[5]){1|H<1>,2|O<1>,7|C<3>}	128.4045	0.101	2	128.4045	0.010	2	128.4045	0.010	2	128.4045	0.010	2	124.0230	16.095	5	120.8104	9.327	30
818	727	818	6:SP2_SP2_SP2	C[5,6]	C[5a,6]	C[5,6]	3:3:4:	3:3:3:	4:3:4:	C[5a,6]-3:C[5,6]-3:C[5]-4:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[5]C[5]FF){1|H<1>,1|S<2>,2|C<3>,2|C<4>,4|F<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[5,6]C[5,6]C[5])(C[5a]S[5a]C){1|S<4>,2|F<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5a,6]C[5])(C[5]C[5]FF){1|C<4>,1|H<1>,1|S<4>,3|C<3>,4|F<1>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	124.0230	16.095	5	120.8104	9.327	30