727	727	977	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	S	3:2:1:	3:3:3:	3:	C[5a,6a]-3:S[5a]-2:S-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	S(C[5a]C[5a,6a]S[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(S){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	S(C[5a]C[5a,6a]S[5a])	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	127.6626	0.340	5	126.5710	1.944	9
727	727	977	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	S	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	S(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	S(C[5a]C[5a,6a]N[5a])	127.4495	0.558	2	127.4495	0.311	2	127.4495	0.311	2	127.5678	0.393	4	127.6626	0.340	5	126.5710	1.944	9
727	727	977	0:SP2_SP-NON_SP2	C[5a]	C[5a,6a]	S	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a]-3:S-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	S(C[5a]C[5a,6a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(S){1|H<1>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	S(C[5a]C[5a,6a]N[5a])	127.6860	0.901	2	127.6860	0.812	2	127.6860	0.812	2	127.5678	0.393	4	127.6626	0.340	5	126.5710	1.944	9
727	727	977	0:SP2_SP-NON_SP2	C[5a]	C[5a]	S	3:3:1:	3:3:2:	3:	C[5a]-3:N[5a]-3:S-1:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a])	S(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a]C)(S){1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]S)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>}	S(C[5a]C[5a]N[5a])	125.2065	0.513	4	125.2065	0.263	4	125.2065	0.263	4	125.2065	0.263	4	125.2065	0.263	4	126.5710	1.944	9
727	727	979	0:SP2_SP2_SP2	C[5a]	C[5a]	Si	3:3:2:	3:3:1:	3:3:3:	Si-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:Si[5]-3:	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|Si<3>,1|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|Si<3>}	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	127.8910	3.620	2	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3
727	727	979	0:SP2_SP2_SP2	C[5a]	C[5a]	Si	3:3:2:	3:3:1:	3:3:3:	Si-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:Si[5]-3:	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H)	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	C[5a](SiC[6a]Si[5])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>}	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(H){1|H<1>}	Si(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(Si[5]C[5]2)	128.5770	0.000	1	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3	128.1197	6.710	3
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5,5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5,5a]-3:C-2:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH)	C(C[5a]C[5a,6a]C[5,5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN){2|C<3>,2|C<4>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(C[5]C[5]HH){2|C<3>,4|H<1>}	C(C[5a]C[5a,6a]C[5,5a])(N)	125.7365	0.641	2	125.7365	0.411	2	125.7365	0.411	2	128.0710	16.555	3	128.0710	16.555	3	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5,5a]	C	3:3:2:	3:3:4:	3:1:	N[5a,6a]-3:C[5,5a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH)	C(C[5a]N[5a,6a]C[5,5a])(N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])(CN){1|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]N[5a,6a]C)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5,5a])(N)	132.7400	0.000	1	132.7400	0.000	1	132.7400	0.000	1	128.0710	16.555	3	128.0710	16.555	3	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,5a]	C	3:2:2:	3:3:3:	3:1:	C[5a,5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CN)	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C)	C(C[5a]C[5a,5a]S[5a])(N)	C[5a](C[5a,5a]C[5a,5a]C[5a])(S[5a]N[5a])(CN){1|C<4>,1|N<2>,1|N<3>}	C[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]C)(C[5a]S[5a]C){1|C<4>}	C(C[5a]C[5a,5a]S[5a])(N)	129.1260	0.000	1	129.1260	0.000	1	129.1260	0.000	1	129.1260	0.000	1	126.4674	1.988	7	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,5a]	C	3:3:2:	3:3:2:	3:2:	C[5a,5a]-3:C[5a,6a]-3:C-2:	C[5a,5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a])	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5,5a])(C[5a]C[5a,6a]C)(S[5a]C[5,5a]){4|C<3>}	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	126.5180	0.000	2	126.5180	0.000	2	126.5180	0.000	2	126.5180	0.000	2	126.4674	1.988	7	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a,5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN){1|N<3>,1|O<2>,4|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,5a]C[5a])(N)	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	125.7775	0.983	4	126.4674	1.988	7	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN)	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN){1|H<1>,2|N<3>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,5a]C[5a])(N)	126.6020	0.479	2	126.6020	0.230	2	126.6020	0.230	2	125.7775	0.983	4	126.4674	1.988	7	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	N[5a,5a]-3:N[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,5a]C[5a])(N)	124.9280	0.000	1	124.9280	0.000	1	124.9280	0.000	1	125.7775	0.983	4	126.4674	1.988	7	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:2:2:	3:3:2:	3:2:	C[5a,6]-3:S[5a]-2:C-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C(C[5a]C[5a,6]S[5a])(CC[6a])	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC){1|C<2>,1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]S[5a])(CC[6a])	127.7945	0.262	2	127.7945	0.069	2	128.4910	3.174	6	128.4910	3.174	6	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:2:2:	3:3:2:	3:2:	C[5a,6]-3:S[5a]-2:C-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C(C[5a]C[5a,6]S[5a])(CPt)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC){1|C<2>,1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]S[5a])(CPt)	130.6400	0.334	2	130.6400	0.111	2	128.4910	3.174	6	128.4910	3.174	6	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:2:2:	3:3:2:	3:2:	C[5a,6]-3:S[5a]-2:C-2:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C-2:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6])	C(C[5a]C[5a,6]S[5a])(CSi)	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(CC){1|C<2>,1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C)(O[6]C[6]){1|C<2>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6]S[5a])(CSi)	127.0385	1.124	2	127.0385	1.262	2	128.4910	3.174	6	128.4910	3.174	6	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:2:2:	3:3:3:	3:1:	C[5a,6]-3:N[5a]-2:C-2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:N-1:	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C(C[5a]C[5a,6]N[5a])(N)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN){2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	C(C[5a]C[5a,6]N[5a])(N)	128.0070	0.000	1	127.5037	0.150	6	127.5037	0.150	6	127.5037	0.150	6	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:2:2:	3:3:3:	3:1:	C[5a,6]-3:N[5a]-2:C-2:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[5a]-3:N-1:	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	C(C[5a]C[5a,6]N[5a])(N)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CN){2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6]N[5a])(N)	127.4030	0.334	5	127.5037	0.150	6	127.5037	0.150	6	127.5037	0.150	6	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	C(C[5a]C[5a,6a]C[5a,6])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a,6])(N)	128.4420	0.000	1	128.4420	0.000	1	128.4420	0.000	1	128.4420	0.000	1	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[5a]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C(C[5a]C[5a,6]C[5a])(CSi)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC){1|B<4>,1|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(CSi)	124.1790	0.000	1	124.1790	0.000	1	124.1790	0.000	1	124.1790	0.000	1	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<4>,4|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	128.1560	0.000	1	128.1560	0.000	1	123.9188	1.957	16	123.9188	1.957	16	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	124.5440	0.000	1	123.6363	0.729	15	123.9188	1.957	16	123.9188	1.957	16	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,4|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	123.2120	0.679	10	123.6363	0.729	15	123.9188	1.957	16	123.9188	1.957	16	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	124.2740	0.306	3	123.6363	0.729	15	123.9188	1.957	16	123.9188	1.957	16	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|N<2>,1|N<3>,4|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	125.0590	0.000	1	123.6363	0.729	15	123.9188	1.957	16	123.9188	1.957	16	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6]	C	3:3:2:	3:4:3:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]C){2|C<4>,3|C<3>,3|H<1>}	C(C[5a]C[5a,6]C[5a])(N)	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	125.7803	5.916	31	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(N)	126.5190	0.000	1	126.9975	0.458	2	126.9975	0.458	2	127.6610	1.402	5	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|O<1>,2|N<3>}	C(C[5a]C[5a,6a]N[5a])(N)	127.4760	0.000	1	126.9975	0.458	2	126.9975	0.458	2	127.6610	1.402	5	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a])(CN){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(N)	126.5980	0.000	1	126.5980	0.000	1	128.1033	1.842	3	127.6610	1.402	5	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(N)	128.4790	0.000	1	128.8560	0.284	2	128.1033	1.842	3	127.6610	1.402	5	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]N[5a])(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]N[5a])(N)	129.2330	0.000	1	128.8560	0.284	2	128.1033	1.842	3	127.6610	1.402	5	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:2:	3:2:	C[5a,6a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]S[5a])(CC[5])	C[5a](C[5a,6a]C[5a,6a]N[6a])(S[5a]C[5a])(CC){1|C<2>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]C)(N[6a]C[6a]){1|C<2>,2|C<3>}	C(C[5a]C[5a,6a]S[5a])(CC[5])	128.8085	1.114	2	128.8085	1.240	2	128.8085	1.240	2	128.8085	1.240	2	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:1:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	C(C[5a]C[5a,6a]N[5a])(N)	127.6570	0.000	1	127.6570	0.000	1	127.6570	0.000	1	127.6570	0.000	1	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	C(C[5a]C[5a,6a]N[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	C(C[5a]C[5a,6a]N[5a])(CC)	127.8880	0.000	1	127.8880	0.000	1	127.8880	0.000	1	127.1967	1.170	4	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-2:C-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	C(C[5a]C[5a,6a]N[5a])(CC[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]N[5a])(CC){1|N<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]N[5a])(CC[6a])	128.3500	0.000	1	128.3500	0.000	1	128.3500	0.000	1	127.1967	1.170	4	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(CC[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[6a])	126.2745	0.015	2	126.2745	0.000	2	126.2745	0.000	2	127.1967	1.170	4	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[5a]C[5a,6a]C[5a])(N)	126.6840	0.000	1	126.6840	0.000	1	126.6840	0.000	1	126.6840	0.000	1	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]2)(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]2)(N)	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(N)	126.2890	1.017	4	126.2890	1.035	4	126.2890	1.035	4	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<2>}	C(C[5a]C[5a,6a]C[5a])(N)	129.1070	0.000	1	129.1070	0.000	1	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.1960	0.000	1	126.1413	0.757	3	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.9830	0.000	1	126.1413	0.757	3	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.2450	0.000	1	126.1413	0.757	3	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(N)	125.8385	0.730	2	125.8385	0.534	2	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.8380	0.000	1	126.1660	0.215	2	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.4940	0.000	1	126.1660	0.215	2	126.4425	1.503	8	126.4369	1.167	13	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5,5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5,5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CN){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5,5a])(N)	127.3805	0.571	2	127.3805	0.326	2	127.3805	0.326	2	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a,6])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a,6])(N)	123.8020	0.000	1	123.8020	0.000	1	123.8020	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]2)(N)	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]2)(N)	125.2370	0.000	1	125.2370	0.000	1	125.2370	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:N[5,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C)	C(C[5a]C[5a,6a]2)(N)	C[5a](C[5a,6a]C[5a,6a]N[5,6a])(C[5a,6a]C[5a,6a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5,6a]C[5,6a,6a]C[5])(C[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(N)	127.8110	0.000	1	127.8110	0.000	1	127.8110	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]2)(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a,6a]C[6a])(CN){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C(C[5a]C[5a,6a]2)(N)	125.5320	0.000	1	125.5320	0.000	1	125.5320	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(N)	127.4630	0.000	1	127.4630	0.000	1	127.4630	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.0760	0.000	1	124.0760	0.000	1	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	127.8960	0.000	1	126.7135	2.797	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.5310	0.000	1	126.7135	2.797	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.5680	0.000	1	125.1764	0.838	7	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.6590	0.000	1	125.1764	0.838	7	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.7780	0.000	1	125.1764	0.838	7	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.7850	1.162	2	125.1764	0.838	7	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.8300	1.324	2	125.1764	0.838	7	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.9820	0.595	2	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	127.0710	0.000	1	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.0507	0.183	3	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.0150	0.100	2	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.7080	1.317	6	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	C(C[5a]C[5a,6a]C[5a])(N)	126.7490	0.000	1	126.4143	1.080	15	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.9920	0.000	1	125.9700	0.001	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.9480	0.000	1	125.9700	0.001	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	126.9680	0.000	1	126.9680	0.000	1	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	128.1860	0.000	1	128.1860	0.000	1	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	124.3670	1.765	2	124.8873	2.370	3	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.9280	0.000	1	124.8873	2.370	3	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	123.0800	0.000	1	123.0800	0.000	1	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(N)	124.8370	0.000	1	123.6765	2.694	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	122.5160	0.000	1	123.6765	2.694	2	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(N)	125.0430	0.000	1	125.0430	0.000	1	125.7551	1.998	36	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(C[5a]C[5a]C){2|C<4>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.8420	0.000	1	125.8420	0.000	1	127.2130	3.113	4	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){1|C<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(N)	128.4815	1.698	2	128.4815	2.882	2	127.2130	3.113	4	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.0470	0.000	1	126.0470	0.000	1	127.2130	3.113	4	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	128.5470	0.000	1	127.8670	0.925	2	128.3107	1.053	3	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	127.1870	0.000	1	127.8670	0.925	2	128.3107	1.053	3	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	129.1980	0.000	1	129.1980	0.000	1	128.3107	1.053	3	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	128.6125	0.356	2	128.6125	0.127	2	128.6125	0.127	2	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.1103	0.853	3	124.8270	0.605	5	124.4211	0.892	7	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.9760	0.000	1	124.8270	0.605	5	124.4211	0.892	7	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.8280	0.000	1	124.8270	0.605	5	124.4211	0.892	7	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.5630	0.000	1	123.5630	0.000	1	124.4211	0.892	7	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	123.2500	0.000	1	123.2500	0.000	1	124.4211	0.892	7	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	128.0983	0.369	3	128.0983	0.136	3	128.0983	0.136	3	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(N)	129.5380	0.000	1	129.5380	0.000	1	129.5380	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:N[5a]-3:C-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(N[5a]B[5a]N)(CN){2|F<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C){1|H<1>,1|N<2>,2|F<1>,4|C<3>}	C(C[5a]C[5a,6a]N[5a])(N)	129.2730	0.000	1	129.2730	0.000	1	129.2730	0.000	1	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5a]N)(CN){1|H<1>,2|C<3>,2|F<1>}	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C(C[5a]C[5a,6a]N[5a])(N)	125.4950	0.441	2	125.4950	0.195	2	125.4950	0.195	2	126.1794	2.962	66	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,5a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	126.3860	0.000	2	126.3860	0.000	2	126.3860	0.000	2	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C(C[5a]C[5a,6a]2)(CSi)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(CSi)	123.3100	0.000	1	123.3100	0.000	1	123.3100	0.000	1	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)	C(C[5a]C[5a,6a]2)(CSi)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(CC){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]2)(CSi)	128.1660	0.000	1	128.1660	0.000	1	128.1660	0.000	1	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CSi)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CSi)	125.6020	0.000	1	125.6020	0.000	1	125.6020	0.000	1	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	126.6605	0.602	2	126.6605	0.362	2	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[5a])	125.2190	0.000	1	125.2190	0.000	1	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC)	129.6905	0.479	2	129.6905	0.229	2	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CH)	125.1555	0.267	2	125.1555	0.071	2	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC)	127.5890	0.000	1	127.5890	0.000	1	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]O){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC)	128.6510	0.000	1	128.6510	0.000	1	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC)	129.0070	0.000	1	126.2293	8.129	3	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC)	124.8405	2.164	2	126.2293	8.129	3	126.9300	4.218	12	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C){2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	125.9800	0.000	1	125.9800	0.000	1	125.9800	0.000	1	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(CSi)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CSi)	130.8470	0.959	2	130.8470	0.919	2	131.8345	1.992	4	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(CC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[6a])	132.0620	0.000	1	132.0620	0.000	1	131.8345	1.992	4	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]N[5a])(CC[3])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a,6a]N[5a])(CC[3])	133.5820	0.000	1	133.5820	0.000	1	131.8345	1.992	4	127.4352	7.530	23	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	C(C[5a]C[5a,6a]2)(CSiC)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C(C[5a]C[5a,6a]2)(CSiC)	126.6010	0.000	1	126.6010	0.000	1	126.4585	0.041	2	126.4585	0.041	2	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	C(C[5a]C[5a,6a]2)(CSiC)	C[5a](C[5a,6a]C[5a,6a]C[6a])2(CC){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]2)(CSiC)	126.3160	0.000	1	126.3160	0.000	1	126.4585	0.041	2	126.4585	0.041	2	126.6197	3.695	117	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:1:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN)	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN){1|C<3>}	C[5a](C[5a]O[5a]C)(N[5a]C[5a])(H){1|C<3>}	C(C[5a]C[5a]O[5a])(N)	134.2147	0.970	3	134.2147	0.940	3	134.2147	0.940	3	134.2147	0.940	3	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	130.8422	0.204	4	130.8422	0.042	4	130.8422	0.042	4	129.1865	2.283	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(OC[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]O)(N[5a]O[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(OC[5a])	C(C[5a]C[5a]N[5a])(N)	128.0827	0.655	6	128.0827	0.429	6	128.0827	0.429	6	129.1865	2.283	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.6880	0.000	1	129.6880	0.000	1	129.6880	0.000	1	127.7415	5.702	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	128.3500	0.426	2	128.1940	0.164	3	128.1940	0.164	3	127.7415	5.702	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]O[5a]N)(N[5a]C[5a])(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<4>}	C(C[5a]C[5a]N[5a])(N)	127.8820	0.000	1	128.1940	0.164	3	128.1940	0.164	3	127.7415	5.702	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	127.7415	5.702	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:N-1:	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]S[5a]N[6])(N[5a]N[5a])(CN){2|C<4>}	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(N[6]C[6]2){2|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.1160	0.000	1	129.1160	0.000	1	129.1160	0.000	1	127.7415	5.702	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Br)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Br){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.6508	0.549	4	127.6508	0.301	4	127.6508	0.301	4	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(Cl){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.6225	1.078	2	127.6225	1.163	2	127.6225	1.163	2	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	126.6865	1.046	11	126.8922	0.910	28	126.9626	1.021	29	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(H){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.0253	0.897	17	126.8922	0.910	28	126.9626	1.021	29	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]N[5])(C[5a]N[5a]C)(H){3|C<3>}	C(C[5a]C[5a]N[5a])(N)	128.9350	0.000	1	128.9350	0.000	1	126.9626	1.021	29	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:I-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(I){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	129.3480	0.000	1	129.3480	0.000	1	129.3480	0.000	1	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(H){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	127.1780	0.000	1	127.1780	0.000	1	127.1780	0.000	1	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN){1|Ni<6>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]C)(H){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	127.9057	0.334	3	127.9057	0.112	3	127.9057	0.112	3	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<3>}	C(C[5a]C[5a]O[5a])(N)	132.4490	0.620	11	132.4657	0.353	12	132.4657	0.353	12	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|H<1>}	C(C[5a]C[5a]O[5a])(N)	132.6490	0.000	1	132.4657	0.353	12	132.4657	0.353	12	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(H){3|C<3>}	C(C[5a]C[5a]S[5a])(N)	126.9875	0.800	2	126.9875	0.640	2	126.9875	0.640	2	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(N)	127.1070	0.854	3	127.1070	0.730	3	127.1055	0.487	4	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CN){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(H){1|H<1>}	C(C[5a]C[5a]S[5a])(N)	127.1010	0.000	1	127.1010	0.000	1	127.1055	0.487	4	128.2757	5.465	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC)	130.0055	0.822	4	130.0055	0.676	4	130.1354	0.436	8	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a])	130.2652	0.544	4	130.2652	0.295	4	130.1354	0.436	8	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(CC){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	C(C[5a]C[5a]N[5a])(CC)	128.2050	0.000	1	128.2050	0.000	1	128.2050	0.000	1	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|N<3>}	C(C[5a]C[5a]O[5a])(CC)	132.4080	0.000	1	132.4080	0.000	1	131.9260	1.630	4	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]O[5a])(CC[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|B<3>}	C(C[5a]C[5a]O[5a])(CC[5a])	133.3310	0.000	1	133.3310	0.000	1	131.9260	1.630	4	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]O[5a])(CFe)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(H){1|C<2>}	C(C[5a]C[5a]O[5a])(CFe)	130.9825	0.951	2	130.9825	0.905	2	131.9260	1.630	4	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[5])	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	C(C[5a]C[5a]S[5a])(CC[5])	128.9750	0.000	1	128.9750	0.000	1	127.5610	3.999	2	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CSi)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a]S[5a]C)(H){2|C<3>}	C(C[5a]C[5a]S[5a])(CSi)	126.1470	0.000	1	126.1470	0.000	1	127.5610	3.999	2	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[5])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]C)(H){3|C<3>}	C(C[5a]C[5a]S[5a])(CC[5])	126.1810	0.000	1	126.1810	0.000	1	125.6190	0.632	2	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(H){1|N<3>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a])	125.0570	0.000	1	125.0570	0.000	1	125.6190	0.632	2	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<4>,1|C<3>}	C[5a](C[5a]C[5a]B)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a])	128.6665	0.900	2	128.6665	0.810	2	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CFe)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C(C[5a]C[5a]S[5a])(CFe)	130.1270	0.940	2	130.1270	0.884	2	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]S[5a]C)(H){1|C<3>,2|C<4>}	C(C[5a]C[5a]S[5a])(CH)	128.2385	1.010	2	128.2385	1.021	2	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CB[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|B<3>}	C(C[5a]C[5a]S[5a])(CB[5a])	128.5730	0.000	1	128.7024	0.888	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CB[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|B<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|B<4>}	C(C[5a]C[5a]S[5a])(CB[5a])	128.7347	1.085	4	128.7024	0.888	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	C(C[5a]C[5a]S[5a])(CC)	128.9990	0.669	2	127.9160	3.742	3	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|H<1>}	C(C[5a]C[5a]S[5a])(CC)	125.7500	0.000	1	127.9160	3.742	3	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[5])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[5])	128.9150	1.214	3	128.9150	1.475	3	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[6])	128.8180	0.000	1	128.8180	0.000	1	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	C(C[5a]C[5a]S[5a])(CC[6a])	127.4160	1.201	8	127.7982	1.869	11	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a])	128.8173	1.467	3	127.7982	1.869	11	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CFe)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	C(C[5a]C[5a]S[5a])(CFe)	129.3800	0.360	4	129.3800	0.129	4	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CH)	129.4107	0.517	3	129.3770	0.139	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<4>}	C(C[5a]C[5a]S[5a])(CH)	129.3265	0.118	2	129.3770	0.139	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CHg)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	C(C[5a]C[5a]S[5a])(CHg)	129.6610	1.474	2	129.6610	2.172	2	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CRu)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|Br<1>}	C(C[5a]C[5a]S[5a])(CRu)	129.4180	0.000	1	128.9574	0.784	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CRu)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<2>}	C(C[5a]C[5a]S[5a])(CRu)	127.9980	0.064	2	128.9574	0.784	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CRu)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CRu)	129.6865	0.120	2	128.9574	0.784	5	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:1:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a])	129.7225	0.226	2	129.7225	0.051	2	128.7367	1.424	47	128.9684	2.436	64	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN){2|C<3>}	C(C[5a]C[5a]N[5a])(N)	126.1870	0.000	1	126.1870	0.000	1	126.1870	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(CN)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(CN){3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C(C[5a]C[5a]N[5a])(N)	125.8660	0.771	2	125.8660	0.594	2	125.8660	0.594	2	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	126.2910	0.000	1	126.2910	0.000	1	126.2910	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.8520	0.000	1	130.1145	0.138	2	130.1145	0.138	2	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(N)	130.3770	0.000	1	130.1145	0.138	2	130.1145	0.138	2	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	126.1730	0.000	1	126.1730	0.000	1	126.7952	0.545	8	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	126.6688	0.811	4	126.7152	0.435	6	126.7952	0.545	8	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<4>}	C(C[5a]C[5a]N[5a])(N)	126.5100	0.000	1	126.7152	0.435	6	126.7952	0.545	8	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|N<2>}	C(C[5a]C[5a]N[5a])(N)	127.1060	0.000	1	126.7152	0.435	6	126.7952	0.545	8	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	127.8980	0.000	1	127.8980	0.000	1	126.7952	0.545	8	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	C(C[5a]C[5a]N[5a])(N)	129.8010	0.000	1	129.8010	0.000	1	129.8010	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(CN){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(N)	129.5170	0.000	1	129.5170	0.000	1	129.5170	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<4>,1|C<4>}	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C(C[5a]C[5a]N[5a])(N)	126.8110	0.178	2	127.5228	0.614	5	127.5228	0.614	5	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<5>,1|C<4>}	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C(C[5a]C[5a]N[5a])(N)	127.9973	0.606	3	127.5228	0.614	5	127.5228	0.614	5	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN){2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN){1|C<3>}	C(C[5a]C[5a]O[5a])(N)	132.3250	0.000	1	132.3250	0.000	1	132.3250	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN){1|N<3>}	C(C[5a]C[5a]S[5a])(N)	126.5360	0.000	1	126.5360	0.000	1	126.5360	0.000	1	127.5910	3.025	23	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(CC){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a])	130.7090	0.000	1	130.7090	0.000	1	130.7090	0.000	1	126.1248	6.606	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC){1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	126.0625	1.739	6	126.0625	3.025	6	126.7849	3.954	8	126.1248	6.606	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C(C[5a]C[5a]N[5a])(CC[6a])	128.9520	0.182	2	128.9520	0.033	2	126.7849	3.954	8	126.1248	6.606	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C(C[5a]C[5a]S[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC)	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	126.1248	6.606	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:2:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC)	C(C[5a]C[5a]S[5a])(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC){1|H<1>}	C(C[5a]C[5a]S[5a])(CC)	124.0933	0.501	3	124.0933	0.251	3	124.0933	0.251	3	126.1248	6.606	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN)	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CN){1|C<2>,1|H<1>,1|O<2>}	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H){2|C<3>}	C(C[5a]C[5a]N[5a])(N)	129.9940	0.000	1	129.9940	0.000	1	129.9940	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a])(CN){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(C[6a]C[6a]2){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	128.2530	0.000	1	128.2530	0.000	1	128.2530	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(N)	129.3010	0.000	1	129.3010	0.000	1	129.3010	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[5a]-3:S-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(SCO)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN){1|C<3>,1|I<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]I)(SCO){1|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.2390	0.000	1	127.2390	0.000	1	127.2390	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	128.3882	0.907	4	128.3882	0.823	4	128.7044	1.117	5	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.9690	0.000	1	129.9690	0.000	1	128.7044	1.117	5	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(NHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]N)(NHH){1|H<1>}	C(C[5a]C[5a]N[5a])(N)	126.0650	0.000	1	126.0650	0.000	1	126.0650	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.3790	0.454	2	127.3790	0.206	2	127.3790	0.206	2	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	C(C[5a]C[5a]N[5a])(N)	128.4937	1.128	3	128.4937	1.271	3	128.4937	1.271	3	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NHH){1|C<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(N)	129.8990	0.000	1	129.8990	0.000	1	129.8990	0.000	1	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|C<3>,1|C<4>,1|N<2>}	C(C[5a]C[5a]S[5a])(N)	125.8430	0.000	1	126.4563	0.283	3	126.4563	0.283	3	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a,6a]N)(S[5a]C[5a,6a])(CN){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(NHH){1|N<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(N)	126.7630	0.040	2	126.4563	0.283	3	126.4563	0.283	3	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(C[5a]S[5a]C)(NHH){1|N<2>,1|N<3>,1|O<2>}	C(C[5a]C[5a]S[5a])(N)	125.3740	0.000	1	125.3740	0.000	1	125.4390	0.008	2	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CN){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|N<3>}	C(C[5a]C[5a]S[5a])(N)	125.5040	0.000	1	125.5040	0.000	1	125.4390	0.008	2	127.8457	2.260	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	128.2540	1.291	2	128.2540	1.667	2	128.2540	1.667	2	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:N[5a]-2:C-2:	N[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:C-2:	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(CC){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CC[6a])	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H)	C(C[5a]C[5a]O[5a])(CC[6a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a])	130.8660	0.000	1	130.8660	0.000	1	130.8660	0.000	1	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO)	C(C[5a]C[5a]O[5a])(CSi)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(COO){1|C<3>}	C(C[5a]C[5a]O[5a])(CSi)	135.5360	0.000	1	135.5360	0.000	1	135.5360	0.000	1	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O){1|C<4>}	C(C[5a]C[5a]S[5a])(CC[6a])	127.5020	0.000	1	127.5020	0.000	1	127.5020	0.000	1	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C(C[5a]C[5a]S[5a])(CC[6])	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC){1|C<4>,1|H<1>,2|C<3>}	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(C[5a]C[5a]S[5a])(CC[6])	128.3030	0.000	1	128.3030	0.000	1	127.9047	1.013	3	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[5]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[5]C[5]2)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(CC){1|C<4>,1|H<1>,2|C<3>}	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(C[5a]C[5a]S[5a])(CC[6a])	127.7055	1.337	2	127.7055	1.788	2	127.9047	1.013	3	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C)	C(C[5a]C[5a]S[5a])(CC[5a])	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC){1|Si<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(C[5a]S[5a]C){1|Si<4>,1|C<2>,1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]S[5a])(CC[5a])	130.6107	1.288	4	130.6107	1.659	4	129.4310	2.351	8	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C)	C(C[5a]C[5a]S[5a])(CPt)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(C[5a]S[5a]C){2|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CPt)	128.2512	0.340	4	128.2512	0.115	4	129.4310	2.351	8	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,4|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a])	128.9410	0.464	2	128.9410	0.215	2	128.9410	0.215	2	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(NOO)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]S[5a]C)(NOO){1|C<2>}	C(C[5a]C[5a]S[5a])(CC[6a])	128.3005	0.156	2	128.3005	0.024	2	128.3005	0.024	2	129.0047	4.585	21	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:3:	3:3:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]S[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC){4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){2|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]O)	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:1:	C[5a]-3:O[5a]-2:C-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H)	C(C[5a]C[5a]O[5a])(N)	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a]O[5a])(N)	130.2830	0.223	2	130.2830	0.050	2	130.2830	0.050	2	127.0007	8.325	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:1:	C[5a]-3:S[5a]-2:C-2:	C[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]S[5a])(N)	C[5a](C[5a]C[5a,5a]C)(S[5a]C[5a,5a])(CN){1|C<3>,1|S<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)(CH3){1|C<3>,1|C<4>,1|S<2>}	C(C[5a]C[5a]S[5a])(N)	125.3595	1.756	4	125.3595	3.084	4	125.3595	3.084	4	127.0007	8.325	6	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]S[5a])(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]S[5a])(CC)	133.4115	0.924	4	133.4115	0.854	4	129.3515	11.636	11	129.3515	11.636	11	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]S[5a])(CC[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<2>}	C(C[5a]C[5a]S[5a])(CC[5a])	128.2325	0.824	2	127.5855	0.986	4	129.3515	11.636	11	129.3515	11.636	11	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]S[5a])(CC[5a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|C<3>}	C(C[5a]C[5a]S[5a])(CC[5a])	126.9385	0.779	2	127.5855	0.986	4	129.3515	11.636	11	129.3515	11.636	11	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a])	126.8900	0.000	1	126.8900	0.000	1	129.3515	11.636	11	129.3515	11.636	11	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:2:2:	3:3:4:	3:2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]S[5a])(CC[6a])	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CCHH){1|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a])	125.9945	1.958	2	125.9945	3.834	2	129.3515	11.636	11	129.3515	11.636	11	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|N<2>,2|N<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|N<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.3400	0.000	1	126.3400	0.000	1	127.9917	1.626	4	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]H)(CN){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(N)	128.5423	0.787	3	128.5423	0.620	3	127.9917	1.626	4	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	128.7617	0.726	3	129.4435	2.211	4	129.4435	2.211	4	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|N<3>,1|S<4>}	C(C[5a]C[5a]2)(N)	131.4890	0.000	1	129.4435	2.211	4	129.4435	2.211	4	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(N)	121.1530	0.000	1	121.1530	0.000	1	121.1530	0.000	1	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:I-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(I){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	127.3008	10.720	10	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)2(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]N[5a]H)2(CC){1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CC)	125.7240	0.000	1	125.7240	0.000	1	127.8606	1.706	5	126.1041	5.660	9	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)2(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]N[5a]H)2(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|H<1>}	C(C[5a]C[5a]2)(CC[6a])	128.3947	0.610	4	128.3947	0.372	4	127.8606	1.706	5	126.1041	5.660	9	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(CC)	123.3150	0.000	1	123.3150	0.000	1	123.9085	1.250	4	126.1041	5.660	9	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	C(C[5a]C[5a]2)(CC)	122.8400	0.000	1	122.8400	0.000	1	123.9085	1.250	4	126.1041	5.660	9	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(H){2|H<1>}	C(C[5a]C[5a]2)(CC[6a])	124.7395	0.936	2	124.7395	0.875	2	123.9085	1.250	4	126.1041	5.660	9	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC){2|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	122.8384	0.726	9	122.8384	0.527	9	122.5855	0.854	11	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NH){2|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	122.2060	0.000	1	122.2060	0.000	1	122.5855	0.854	11	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NP){2|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	120.6890	0.000	1	120.6890	0.000	1	122.5855	0.854	11	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]C)(CN){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(N)	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]S)(CN){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(N)	128.1997	0.590	3	128.1997	0.348	3	128.1997	0.348	3	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	126.6560	0.000	1	126.6560	0.000	1	125.7970	1.476	2	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(N[5a]S[5a])(SC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(N[5a]S[5a])(SC){1|S<2>}	C(C[5a]C[5a]2)(N)	124.9380	0.000	1	124.9380	0.000	1	125.7970	1.476	2	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN){2|C<3>}	C(C[5a]C[5a]2)(N)	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]2)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]2)(C[5a]O[5a]N)(CN){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){2|C<3>}	C(C[5a]C[5a]2)(N)	123.1765	0.729	2	123.1765	0.531	2	123.3087	0.318	3	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	123.5730	0.000	1	123.5730	0.000	1	123.3087	0.318	3	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN){1|N<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CN){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|C<4>}	C(C[5a]C[5a]2)(N)	121.4127	0.133	3	121.4127	0.018	3	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NN){1|Cl<1>,1|C<3>}	C(C[5a]C[5a]2)(N)	123.1010	0.000	1	123.1010	0.000	1	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(N)	122.0505	0.559	2	122.4390	0.609	3	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC){2|H<1>}	C(C[5a]C[5a]2)(N)	123.2160	0.000	1	122.4390	0.609	3	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]){2|H<1>}	C(C[5a]C[5a]2)(N)	121.7590	0.000	1	121.7590	0.000	1	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a]){1|C<4>,1|O<1>}	C(C[5a]C[5a]2)(N)	124.8010	0.000	1	124.8010	0.000	1	122.3573	1.354	9	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|Br<1>,1|C<3>}	C(C[5a]C[5a]2)(N)	122.6920	0.000	1	122.6920	0.000	1	122.4592	1.480	4	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	121.5285	0.039	2	121.5285	0.002	2	122.4592	1.480	4	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(SC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]S)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(SC){1|S<2>}	C(C[5a]C[5a]2)(N)	124.0880	0.000	1	124.0880	0.000	1	122.4592	1.480	4	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.7900	0.000	1	129.7900	0.000	1	130.5319	0.333	8	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	130.6472	0.719	4	130.5878	0.319	6	130.5319	0.333	8	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	130.4910	0.000	1	130.5878	0.319	6	130.5319	0.333	8	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CN){1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(N)	130.4470	0.000	1	130.5878	0.319	6	130.5319	0.333	8	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|C<4>}	C(C[5a]C[5a]N[5a])(N)	130.9380	0.000	1	130.9380	0.000	1	130.5319	0.333	8	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(N)	127.1280	0.000	1	127.3737	0.048	3	127.3737	0.048	3	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-1:	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(N)	127.4965	0.069	2	127.3737	0.048	3	127.3737	0.048	3	124.8754	11.201	46	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC)	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CC){2|H<1>}	C(C[5a]C[5a]2)(CC[6a])	123.8300	0.081	2	123.8300	0.006	2	123.8300	0.006	2	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CC){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	131.1168	1.921	6	131.1168	3.689	6	131.5360	3.237	8	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC){1|C<4>}	C(C[5a]C[5a]N[5a])(CC[6a])	132.7935	0.012	2	132.7935	0.000	2	131.5360	3.237	8	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(NLi)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<4>,1|C<4>}	C(C[5a]C[5a]N[5a])(NLi)	126.8090	0.000	1	127.3380	0.560	2	127.3380	0.560	2	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:2:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:N-2:	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN)	C(C[5a]C[5a]N[5a])(NLi)	C[5a](N[5a]C[5a]Li)(C[5a]N[5a]C)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CN){1|Li<5>,1|C<4>}	C(C[5a]C[5a]N[5a])(NLi)	127.8670	0.000	1	127.3380	0.560	2	127.3380	0.560	2	128.7070	20.116	13	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H){2|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	122.2000	0.000	1	122.2000	0.000	1	122.1573	0.014	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){1|C<3>,1|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	122.2500	0.000	1	122.1430	0.020	3	122.1573	0.014	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NHH){2|C<4>}	C(C[5a]C[5a,6]C[5a])(N)	122.0895	0.151	2	122.1430	0.020	3	122.1573	0.014	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	130.0590	0.000	1	130.0590	0.000	1	130.0590	0.000	1	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NHH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]N)(CN){3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NHH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.7115	0.429	2	125.7115	0.184	2	127.1833	3.144	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]N[6a])(C[5a]N[5a]N)(CN){2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(N)	128.6550	0.764	2	128.6550	0.583	2	127.1833	3.144	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	127.5195	0.645	6	127.5195	0.417	6	127.5195	0.417	6	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){1|C<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.2490	0.000	1	126.7890	0.583	2	125.8860	2.738	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	127.3290	0.000	1	126.7890	0.583	2	125.8860	2.738	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CN){1|C<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.0800	0.000	1	124.0800	0.000	1	125.8860	2.738	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	122.7500	1.447	2	122.3667	1.487	3	122.3667	1.487	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CN){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	121.6000	0.000	1	122.3667	1.487	3	122.3667	1.487	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN){3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO){2|C<3>}	C(C[5a]C[5a]2)(N)	128.4900	1.054	3	128.4900	1.110	3	128.4900	1.110	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)2(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)2(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(N)	129.4480	0.000	1	129.4480	0.000	1	129.4480	0.000	1	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	126.0340	0.000	1	126.0340	0.000	1	126.0340	0.000	1	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	125.8157	0.741	6	125.8157	0.549	6	125.1520	1.912	12	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	124.0126	1.247	5	124.0126	1.554	5	125.1520	1.912	12	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH){1|C<4>}	C(C[5a]C[5a]2)(N)	126.8670	0.000	1	126.8670	0.000	1	125.1520	1.912	12	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){2|H<1>}	C(C[5a]C[5a]2)(N)	121.8735	0.281	2	121.8735	0.079	2	120.1218	4.154	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CCH){1|C<3>,1|O<2>}	C(C[5a]C[5a]2)(N)	118.3700	0.328	2	118.3700	0.108	2	120.1218	4.154	4	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<3>}	C(C[5a]C[5a]2)(N)	121.3010	0.000	1	121.3010	0.000	1	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	125.4335	1.187	2	125.4335	1.410	2	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<4>}	C(C[5a]C[5a]2)(N)	120.5210	0.000	1	120.5210	0.000	1	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	123.0990	0.000	1	122.6830	0.346	2	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|N<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<2>,1|N<3>}	C(C[5a]C[5a]2)(N)	122.2670	0.000	1	122.6830	0.346	2	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	122.5090	0.311	2	121.1810	1.576	5	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(N)	119.9430	0.000	1	121.1810	1.576	5	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){3|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NHH){2|C<3>}	C(C[5a]C[5a]2)(N)	120.4720	0.378	2	121.1810	1.576	5	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	121.3420	1.358	7	121.3420	1.845	7	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	121.7860	0.000	1	121.7860	0.000	1	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH){1|H<1>,1|O<1>}	C(C[5a]C[5a]2)(N)	124.2630	0.000	1	124.2630	0.000	1	121.9701	3.045	20	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:N[6]-3:	C[5a]-3:N-1:	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN){1|C<2>,2|C<4>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(N[6]C[6]2){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C(C[5a]C[5a]2)(N)	128.0540	0.000	1	128.0540	0.000	1	128.0540	0.000	1	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:H-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH)	C(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(CH){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(H)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(CN){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(N)	131.3935	0.306	2	131.3935	0.094	2	131.3935	0.094	2	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN){1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NC[5]H){2|H<1>}	C(C[5a]C[5a]N[5a])(N)	132.4810	0.000	1	132.4810	0.000	1	132.4850	0.010	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(CN){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	132.4870	0.143	2	132.4870	0.020	2	132.4850	0.010	3	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NOO){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(N)	133.0185	0.261	2	133.0185	0.068	2	133.0185	0.068	2	124.8493	17.134	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-3:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO)	C(C[5a]C[5a]2)(NO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(CNO){2|H<1>}	C(C[5a]C[5a]2)(NO)	123.6260	0.000	1	123.6260	0.000	1	123.6260	0.000	1	123.6260	0.000	1	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:3:	3:4:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	C(C[5a]C[5a]2)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC){1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){2|C<4>}	C(C[5a]C[5a]2)(CCHH)	126.0440	0.000	1	126.0440	0.000	1	126.0440	0.000	1	126.0440	0.000	1	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	122.7540	0.000	1	122.7540	0.000	1	122.7540	0.000	1	126.6657	11.618	3	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN){1|B<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	128.9980	0.000	1	128.9980	0.000	1	128.6215	0.284	2	126.6657	11.618	3	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(CH3){1|N<3>}	C(C[5a]C[5a]2)(N)	128.2450	0.000	1	128.2450	0.000	1	128.6215	0.284	2	126.6657	11.618	3	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:2:4:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:S[5a]-2:C-4:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCo2C)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CCo2C){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC)	122.3890	2.645	2	122.3890	6.994	2	122.3890	6.994	2	122.3890	6.994	2	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H)	C(C[5a]C[5a,6]C[5a])(N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)(H){1|C<4>,1|N<3>}	C(C[5a]C[5a,6]C[5a])(N)	124.3475	0.281	2	124.3475	0.079	2	124.3475	0.079	2	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.9693	0.543	3	123.9693	0.295	3	123.9693	0.295	3	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(H){1|C<3>,1|N<2>}	C(C[5a]C[5a,6a]C[5a])(N)	125.8430	0.000	1	125.8430	0.000	1	125.7695	0.011	2	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.6960	0.000	1	125.6960	0.000	1	125.7695	0.011	2	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.7560	0.000	1	125.7560	0.000	1	126.7595	0.996	4	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]H)(CN){3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(H){1|N<2>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	127.0940	0.907	3	127.0940	0.823	3	126.7595	0.996	4	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Br)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Br){1|S<2>}	C(C[5a]C[5a]2)(N)	124.7600	0.000	1	124.7600	0.000	1	124.7600	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]Cl)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(Cl){1|N<2>}	C(C[5a]C[5a]2)(N)	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	127.3727	0.555	3	127.2162	0.630	5	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]2)(N)	126.9815	1.312	2	127.2162	0.630	5	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|N<2>}	C(C[5a]C[5a]2)(N)	128.8010	0.000	1	128.3778	1.645	6	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(H){1|N<3>}	C(C[5a]C[5a]2)(N)	128.2932	1.415	5	128.3778	1.645	6	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(N)	124.2590	0.317	2	124.2590	0.100	2	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<2>}	C(C[5a]C[5a]2)(N)	123.9065	0.183	2	125.1150	1.187	9	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(H){1|N<3>}	C(C[5a]C[5a]2)(N)	125.4603	0.975	7	125.1150	1.187	9	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|N<2>}	C(C[5a]C[5a]2)(N)	124.4480	1.144	2	124.4480	1.309	2	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(N)	121.0720	0.000	1	121.0720	0.000	1	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(N)	126.5990	0.000	1	126.5990	0.000	1	126.0565	4.218	26	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){2|C<3>}	C(C[5a]C[5a]2)(N)	124.7110	0.000	1	124.7110	0.000	1	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(N)	123.0963	0.266	3	123.0963	0.071	3	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(N)	124.9227	0.668	3	124.9416	0.491	5	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CN){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(H){1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(N)	124.9700	1.034	2	124.9416	0.491	5	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN){1|B<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<3>}	C(C[5a]C[5a]2)(N)	124.0420	0.000	1	124.0420	0.000	1	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]H)(CN){1|B<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<4>}	C(C[5a]C[5a]2)(N)	125.1610	0.000	1	125.1610	0.000	1	124.3555	0.945	11	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN){2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(N)	126.8250	1.331	2	126.8250	1.771	2	123.7528	8.414	5	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(O){1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(N)	121.1890	0.000	1	121.1890	0.000	1	123.7528	8.414	5	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]S[5a]C)(O){1|N<2>}	C(C[5a]C[5a]2)(N)	121.8540	0.000	1	121.8540	0.000	1	123.7528	8.414	5	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]O)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]S[5a]H)(O){1|N<3>}	C(C[5a]C[5a]2)(N)	122.0710	0.000	1	122.0710	0.000	1	123.7528	8.414	5	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)(CN){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(Cl){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	128.7620	0.000	1	128.7620	0.000	1	128.7620	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]F)(N[5a]C[5a]C)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(F){1|C<3>,1|C<4>}	C(C[5a]C[5a]N[5a])(N)	124.9650	0.000	1	124.9650	0.000	1	124.9650	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)(H){1|C<3>,3|C<4>}	C(C[5a]C[5a]N[5a])(N)	129.1903	0.642	3	129.1903	0.412	3	128.3244	2.707	7	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	127.8150	0.000	1	128.8555	2.165	2	128.3244	2.707	7	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.8960	0.000	1	128.8555	2.165	2	128.3244	2.707	7	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	126.4945	1.934	2	126.4945	3.740	2	128.3244	2.707	7	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	C(C[5a]C[5a]N[5a])(C)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	C(C[5a]C[5a]N[5a])(C)	128.6700	0.000	1	128.6700	0.000	1	128.6700	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CN){2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]H)(O){2|H<1>}	C(C[5a]C[5a]N[5a])(N)	128.8250	0.099	3	128.8250	0.010	3	128.8250	0.010	3	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H)	C(C[5a]N[5a,6a]C[5a])(N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CN){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(H){2|C<3>}	C(C[5a]N[5a,6a]C[5a])(N)	125.5220	0.000	1	125.5220	0.000	1	125.5220	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)(CN){1|C<3>,1|C<4>,2|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5a]C[5a]N[5a])(N)	125.8290	0.000	1	125.8290	0.000	1	125.8290	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CN){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.7220	0.000	1	127.7220	0.000	1	127.7220	0.000	1	125.9028	4.671	71	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(H)	C(C[5a]C[5a,6]C[5a])(CSi)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC){1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]H)(H){1|B<4>,1|C<3>}	C(C[5a]C[5a,6]C[5a])(CSi)	129.2410	0.000	1	129.2410	0.000	1	129.2410	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(CSi)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]C)(H){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CSi)	126.0380	0.000	1	126.0380	0.000	1	126.0380	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]H)(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	128.9370	0.000	1	128.9370	0.000	1	128.9370	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(CC)	125.7390	0.000	1	125.9815	0.118	2	125.9815	0.118	2	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC)	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC){1|C<4>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(CC)	126.2240	0.000	1	125.9815	0.118	2	125.9815	0.118	2	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a])	128.7090	0.000	1	128.4382	3.430	5	128.4382	3.430	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|In<6>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|In<6>,1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a])	128.3705	2.131	4	128.4382	3.430	5	128.4382	3.430	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(F)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(F){3|C<3>}	C(C[5a]C[5a]2)(CC[6a])	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC){1|Cu<4>,1|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){1|Cu<4>,1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a])	124.1997	0.480	4	124.1997	0.230	4	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<2>}	C(C[5a]C[5a]2)(CC[6a])	124.5440	0.023	2	124.5440	0.001	2	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	C(C[5a]C[5a]2)(CC)	126.3030	0.000	1	126.3030	0.000	1	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|H<1>}	C(C[5a]C[5a]2)(CC[6a])	123.4945	0.643	2	123.4945	0.413	2	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CAu)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(CAu)	122.9980	0.000	1	122.9980	0.000	1	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	122.9800	0.356	2	122.9800	0.127	2	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(CH)	122.7870	0.000	1	122.7870	0.000	1	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(CPt)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(CPt)	121.3390	0.693	2	121.3390	0.480	2	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]S[5a]Sn)(C[5a]C[5a]H)(CC)	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]S[5a]Sn)(C[5a]C[5a]H)(CC){1|Br<1>}	C[5a](C[5a]S[5a]Br)(C[5a]C[5a]C)(H){1|Sn<4>}	C(C[5a]C[5a]2)(CC[6a])	122.5020	0.000	1	122.5020	0.000	1	123.5065	1.690	16	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H)	C(C[5a]C[5a]2)(NO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(H){1|C<3>}	C(C[5a]C[5a]2)(NO)	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]S)(H){1|Si<4>,1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	124.3320	0.000	1	124.3320	0.000	1	126.6827	2.712	4	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)2(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]N[5a]H)2(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	C(C[5a]C[5a]2)(CC[6a])	127.4663	0.620	3	127.4663	0.384	3	126.6827	2.712	4	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]C[5a]2)(CC[6a])	124.8020	0.000	1	124.8020	0.000	1	125.7914	4.345	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC)	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(CC){1|In<6>,1|C<3>}	C[5a](N[5a,6]C[5a,6]In[3x6])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,5|N<3>}	C(C[5a]C[5a]2)(CC[6a])	126.0387	2.321	4	126.0387	5.385	4	125.7914	4.345	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]N[5a]H)2(CC)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]N[5a]H)2(CC){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]2)(CC)	129.7910	0.000	1	129.7910	0.000	1	129.7910	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)(CC){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|H<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(CC)	130.4360	1.458	2	130.4360	2.126	2	130.5083	1.079	3	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)(CC){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){2|C<4>,3|H<1>}	C(C[5a]C[5a]N[5a])(CC)	130.6530	0.000	1	130.6530	0.000	1	130.5083	1.079	3	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[5a]C[5a]N[5a])(CSi)	129.9275	0.523	2	129.9275	0.273	2	129.9275	0.273	2	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:I-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(I){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CC)	133.6060	0.000	1	133.6060	0.000	1	133.6060	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<2>,1|C<4>}	C(C[5a]C[5a]N[5a])(CSi)	131.3795	0.279	2	131.3795	0.078	2	130.3548	0.943	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	129.8430	0.139	2	129.8430	0.019	2	130.3548	0.943	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[5a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]S)(CC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|H<1>,1|S<4>}	C(C[5a]C[5a]N[5a])(CC[5a])	129.3290	0.000	1	129.3290	0.000	1	130.3548	0.943	5	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl)	C(C[5a]N[5a,6]C[5a])(CC[6a])	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Cl)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(Cl){1|B<4>,1|C<3>}	C(C[5a]N[5a,6]C[5a])(CC[6a])	127.2405	2.222	2	127.2405	4.939	2	127.2405	4.939	2	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H)	C(C[5a]N[5a,6]C[5a])(CSi)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(H){1|B<4>,1|C<3>}	C(C[5a]N[5a,6]C[5a])(CSi)	127.8433	0.918	4	127.8433	0.842	4	127.8433	0.842	4	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(H){1|C<2>,3|C<3>}	C(C[5a]C[5a]N[5a])(CSi)	131.3470	0.000	1	131.3470	0.000	1	131.3470	0.000	1	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:1:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-2:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(H){1|C<2>,1|C<3>}	C(C[5a]C[5a]N[5a])(CSi)	129.6015	0.086	2	129.6015	0.007	2	129.6015	0.007	2	126.9543	8.928	58	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NC){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.4250	0.000	1	126.4250	0.000	1	126.4250	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CN){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.7040	0.000	1	125.7040	0.000	1	125.7040	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:O-2:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN)	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]N[5a,6]O)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(N)	125.7340	0.000	1	125.7340	0.000	1	125.7340	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN){1|Ni<6>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN){1|Ni<6>,1|C<3>}	C(C[5a]C[5a]2)(N)	122.3991	0.329	8	122.3991	0.109	8	122.6844	0.828	9	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|N<3>}	C(C[5a]C[5a]2)(N)	124.9670	0.000	1	124.9670	0.000	1	122.6844	0.828	9	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(CN){1|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC){3|C<3>}	C(C[5a]C[5a]2)(N)	127.7705	0.781	2	127.7705	0.611	2	123.7380	11.868	8	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(CN){1|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]C[5a]2)(N)	127.9340	0.000	1	127.9340	0.000	1	123.7380	11.868	8	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC){1|C<3>}	C(C[5a]C[5a]2)(N)	121.2858	0.754	5	121.2858	0.568	5	123.7380	11.868	8	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	125.1740	0.000	1	125.1740	0.000	1	125.4438	0.240	6	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a,6]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C(C[5a]C[5a]2)(N)	125.9550	0.000	1	125.9550	0.000	1	125.4438	0.240	6	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]2)(N)	125.9790	0.000	1	125.3835	0.283	4	125.4438	0.240	6	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C(C[5a]C[5a]2)(N)	125.5640	0.000	1	125.3835	0.283	4	125.4438	0.240	6	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]O)(CN){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	124.9955	0.402	2	125.3835	0.283	4	125.4438	0.240	6	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN){1|B<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	130.9370	0.000	1	130.9370	0.000	1	130.9370	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C(C[5a]C[5a]2)(N)	126.7717	0.531	3	126.7717	0.282	3	126.7867	0.189	4	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN){3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C(C[5a]C[5a]2)(N)	126.8320	0.000	1	126.8320	0.000	1	126.7867	0.189	4	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){1|C<3>,1|N<3>}	C(C[5a]C[5a]2)(N)	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.9040	0.000	1	127.9040	0.000	1	127.9040	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN){4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(N)	132.9850	0.000	1	132.9850	0.000	1	132.9850	0.000	1	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N-1:	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN){2|C<3>,3|C<4>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	130.2130	0.512	4	130.2130	0.262	4	130.2130	0.262	4	125.4753	10.261	38	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	C(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC)	123.9585	0.566	2	123.9585	0.321	2	123.9585	0.321	2	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Au<4>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Au<4>,1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	123.5041	1.661	8	123.1110	2.836	10	123.0680	1.968	14	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CC[6a])	121.5385	0.169	2	123.1110	2.836	10	123.0680	1.968	14	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C(C[5a]C[5a]2)(CSi)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Pt<4>,1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Pt<4>,1|C<3>}	C(C[5a]C[5a]2)(CSi)	122.9605	0.005	4	122.9605	0.000	4	123.0680	1.968	14	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(CAu)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(CAu)	124.5200	0.000	1	124.5200	0.000	1	125.2143	0.940	7	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a])	125.0510	0.000	1	124.6620	0.303	2	125.2143	0.940	7	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(CC[6a])	124.2730	0.000	1	124.6620	0.303	2	125.2143	0.940	7	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(CH)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(CH)	124.8850	0.412	2	124.8850	0.169	2	125.2143	0.940	7	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a])	C(C[5a]C[5a]2)(CPt)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(CC){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(CPt)	126.4430	0.916	2	126.4430	0.840	2	125.2143	0.940	7	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]F)(CC){3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CC[6a])	129.3680	0.000	1	129.3680	0.000	1	129.3680	0.000	1	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C(C[5a]C[5a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CC)	127.0665	0.202	2	127.0665	0.041	2	127.0665	0.041	2	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:2:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	133.2695	0.368	2	133.2695	0.136	2	133.2695	0.136	2	124.9075	9.282	28	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(CN){1|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,5a]C)(C[5a]N[5a,5a]N){1|Ni<4>,1|H<1>,4|C<3>}	C(C[5a]C[5a,5a]C[5a])(N)	124.6000	0.648	2	124.6000	0.420	2	124.6000	0.420	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]N[5a])(CN){1|N<3>,1|O<2>,4|C<3>}	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,5a]C){1|H<1>,1|N<3>,5|C<3>}	C(C[5a]C[5a,5a]C[5a])(N)	127.0920	0.000	1	127.0920	0.000	1	127.0920	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	127.7490	0.418	3	127.7490	0.175	3	127.7490	0.175	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CHO){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.0290	0.260	2	126.0290	0.068	2	126.0290	0.068	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.0200	0.000	1	124.6275	0.738	2	124.6275	0.738	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CN){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	125.2350	0.000	1	124.6275	0.738	2	124.6275	0.738	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,1|O<2>,4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(C[5a]C[5a,6a]C){1|H<1>,6|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	128.1160	0.000	1	128.1160	0.000	1	128.1160	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]N)(CN){4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NHH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	122.9850	0.000	1	122.9850	0.000	1	126.0957	9.316	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	129.0860	0.000	1	129.0860	0.000	1	126.0957	9.316	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CN){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.2160	0.000	1	126.2160	0.000	1	126.0957	9.316	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN)	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN){1|C<4>,5|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C(C[5a]C[5a]2)(N)	125.2300	0.000	1	125.2300	0.000	1	125.2300	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN)	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C(C[5a]C[5a]2)(N)	128.2800	0.000	1	128.2800	0.000	1	128.2800	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(CN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCH){2|H<1>}	C(C[5a]C[5a]2)(N)	127.3370	0.000	1	127.3370	0.000	1	126.4100	3.290	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(COO){1|C<3>}	C(C[5a]C[5a]2)(N)	127.3570	0.000	1	127.3570	0.000	1	126.4100	3.290	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CN){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(COO){1|C<2>,2|C<3>}	C(C[5a]C[5a]2)(N)	128.3530	0.000	1	128.3530	0.000	1	126.4100	3.290	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CN){1|N<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O){1|C<2>}	C(C[5a]C[5a]2)(N)	124.0860	0.000	1	124.0860	0.000	1	126.4100	3.290	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CN){3|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CCC){3|C<3>}	C(C[5a]C[5a]2)(N)	124.9170	0.000	1	124.9170	0.000	1	126.4100	3.290	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]2)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[5a]O[5a])2(C[5a]C[5a]C)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]2)(C[5a]O[5a]N)(CN){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])2(C[5a]C[5a]C){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C(C[5a]C[5a]2)(N)	128.9980	0.314	2	128.9980	0.099	2	127.6443	5.547	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]2)(C[5a]S[5a]N)(CN){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]C)(C[5a]S[5a]C){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(N)	124.9370	0.000	1	124.9370	0.000	1	127.6443	5.547	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	124.4320	0.000	1	125.4992	0.919	5	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){3|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	125.7660	0.867	4	125.4992	0.919	5	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C(C[5a]C[5a]2)(N)	125.0360	0.082	2	125.2450	0.134	3	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CN){5|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C(C[5a]C[5a]2)(N)	125.6630	0.000	1	125.2450	0.134	3	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|C<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	127.5220	0.000	1	127.5220	0.000	1	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	129.0630	0.894	2	129.0630	0.799	2	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	124.1447	1.139	3	124.1447	1.296	3	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	123.9270	0.208	2	124.7025	0.987	4	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	125.4780	0.716	2	124.7025	0.987	4	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	126.6620	0.000	1	126.6620	0.000	1	125.6203	2.728	19	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|N<3>}	C(C[5a]C[5a]2)(N)	124.3850	0.000	1	124.3850	0.000	1	123.1098	9.541	4	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]N)(C[5a]S[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|S<2>}	C(C[5a]C[5a]2)(N)	124.7840	0.113	2	124.7840	0.013	2	123.1098	9.541	4	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]N)(CN){1|C<2>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(NHH){1|N<3>}	C(C[5a]C[5a]2)(N)	118.4860	0.000	1	118.4860	0.000	1	123.1098	9.541	4	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N[5a])(CN){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C(C[5a]C[5a]2)(N)	125.3734	0.837	5	125.3734	0.701	5	125.3734	0.701	5	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC){1|C<3>,1|C<4>}	C(C[5a]C[5a]2)(N)	127.9980	1.342	3	127.9980	1.800	3	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	C(C[5a]C[5a]2)(N)	125.4010	0.000	1	125.4010	0.000	1	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC){1|H<1>}	C(C[5a]C[5a]2)(N)	123.3330	0.000	1	123.3330	0.000	1	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]O)(CN){2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H){1|H<1>,1|O<1>}	C(C[5a]C[5a]2)(N)	125.5620	1.420	2	125.5620	2.016	2	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)(C[5a]N[5a]S)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|S<2>}	C(C[5a]C[5a]2)(N)	127.6920	0.000	1	127.6920	0.000	1	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N)2(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N)2(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|N<3>}	C(C[5a]C[5a]2)(N)	125.8460	0.000	1	125.8460	0.000	1	126.3767	3.382	9	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:N[6]-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]O)(CN){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(N[6]C[6]2){1|O<1>,2|C<4>,5|H<1>}	C(C[5a]C[5a]2)(N)	131.4130	0.000	1	131.4130	0.000	1	131.4130	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN)	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CN){2|C<3>,2|H<1>}	C[5a](C[6a]C[5,6a]C[6a])(C[5a]C[5a]C)(C[5a]N[5a]H){1|O<2>,2|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	129.0990	0.000	1	129.0990	0.000	1	129.0990	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){3|C<3>,3|H<1>}	C(C[5a]C[5a]2)(N)	125.6200	0.000	1	125.6200	0.000	1	125.6200	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN)	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C[6a])(CN){1|C<4>,5|C<3>}	C[5a](N[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C(C[5a]C[5a]2)(N)	124.7020	0.000	1	124.7020	0.000	1	124.7020	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]N)(CN){1|C<4>,3|C<3>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N)	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CN){1|Ni<6>,1|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C(C[5a]C[5a]2)(N)	130.4696	0.246	8	130.4696	0.060	8	130.4696	0.060	8	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CN){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C(C[5a]C[5a]2)(N)	125.7433	0.655	3	125.7433	0.430	3	125.7433	0.430	3	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(N)	126.2080	0.000	1	126.2080	0.000	1	126.4590	0.126	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]N)(CN){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	C(C[5a]C[5a]2)(N)	126.7100	0.000	1	126.7100	0.000	1	126.4590	0.126	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(CN){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,5|H<1>}	C(C[5a]C[5a]N[5a])(N)	131.0480	0.088	2	131.0480	0.008	2	131.0480	0.008	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN)	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)2(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[5a]C[5a]N[5a])(N)	131.6080	0.000	1	131.6080	0.000	1	131.6080	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	N[5a,5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO)	C(C[5a]N[5a,5a]C[5a])(N)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)(CN){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]C)(COO){1|C<3>,1|N<3>}	C(C[5a]N[5a,5a]C[5a])(N)	129.7850	0.000	1	129.7850	0.000	1	129.7850	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2)	C(C[5a]N[5a,6]C[5a])(N)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C(C[5a]N[5a,6]C[5a])(N)	130.4500	0.000	1	130.4500	0.000	1	130.4500	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:N-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O){4|C<3>}	C(C[5a]N[5a,6a]C[5a])(N)	128.8915	0.186	2	128.8915	0.035	2	128.8915	0.035	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN)	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C(C[5a]N[5a,6a]C[5a])(N)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CN){1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]F)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]N[5a,6a]C[5a])(N)	131.1920	0.085	2	131.1920	0.007	2	131.1920	0.007	2	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:N-3:	C[5a]-3:N-1:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(NCH)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(N)	133.6620	0.000	1	133.6620	0.000	1	133.6620	0.000	1	126.9075	6.964	89	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC)	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C[6a])(CC){6|C<3>}	C[5a](C[5a]C[5a,6a]C)(C[5a]N[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	126.1200	0.000	1	126.1200	0.000	1	126.1200	0.000	1	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(CC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a])	126.2055	0.373	2	126.2055	0.139	2	126.8333	1.252	3	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(CC[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[5a])	128.0890	0.000	1	128.0890	0.000	1	126.8333	1.252	3	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5,5a]C[6a])2(CC)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5,5a]C[6a])2(CC){6|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C(C[5a]C[5a]2)(CC[6a])	121.7130	0.000	1	121.7130	0.000	1	124.7465	18.404	2	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5,5a]C[6a])2(CC)	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5,5a]C[6a])2(CC){6|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<2>,2|H<1>,5|C<3>}	C(C[5a]C[5a]2)(CC[6a])	127.7800	0.000	1	127.7800	0.000	1	124.7465	18.404	2	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(COO){2|C<3>}	C(C[5a]C[5a]2)(CC[6a])	127.6410	0.000	1	127.6410	0.000	1	127.6410	0.000	1	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC){1|Zn<4>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6a]C[6a]2){1|Zn<4>,2|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CC[6a])	128.1990	1.591	8	128.1990	2.530	8	128.1990	2.530	8	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<2>,1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	130.2120	0.508	2	130.2120	0.258	2	130.2120	0.258	2	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Au<4>,1|C<3>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	130.6435	1.076	4	130.6435	1.158	4	129.6130	1.698	12	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]2)(CSi)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Pt<4>,1|C<3>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	C(C[5a]C[5a]2)(CSi)	129.9240	0.125	4	129.9240	0.016	4	129.6130	1.698	12	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C-3:C[5a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC){1|Cu<4>,1|C<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[5a]C[5a]2)(CC[6a])	128.2715	1.053	4	128.2715	1.108	4	129.6130	1.698	12	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC)	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5])	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC){1|Au<4>,1|C<3>}	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<2>,1|C<3>}	C(C[5a]C[5a]2)(CC[6a])	128.2110	0.791	4	128.2110	0.626	4	128.2110	0.626	4	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC){1|Zn<4>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a]2)(CC[6a])	124.1339	1.372	8	124.1339	1.883	8	124.2097	1.699	9	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C-2:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC){1|C<4>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C(C[5a]C[5a]2)(CC[6a])	124.8160	0.000	1	124.8160	0.000	1	124.2097	1.699	9	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:3:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CSiC){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(CSi)	130.6920	0.000	1	130.6920	0.000	1	130.6920	0.000	1	127.5942	6.498	43	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3)	C(C[5a]C[5a,5a]C[5a])(N)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CN){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,5a]C)(C[5a]N[5a,5a]H)(CC3){1|C<3>,1|N<3>}	C(C[5a]C[5a,5a]C[5a])(N)	128.8980	0.000	1	128.8980	0.000	1	128.8980	0.000	1	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)2(CCHH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)2(CCHH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	122.6750	0.000	1	122.6750	0.000	1	125.3775	3.820	4	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.4080	1.273	2	126.4080	1.620	2	125.3775	3.820	4	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	126.0190	0.000	1	126.0190	0.000	1	125.3775	3.820	4	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.0640	0.000	1	123.0640	0.000	1	124.1653	0.329	7	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]N)(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.3715	0.337	2	124.3715	0.114	2	124.1653	0.329	7	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]O)(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.5520	0.000	1	124.5520	0.000	1	124.1653	0.329	7	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CCHH){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.7750	0.000	1	123.7750	0.000	1	124.1653	0.329	7	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.5115	0.144	2	124.5115	0.021	2	124.1653	0.329	7	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(CN){4|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	123.9460	0.000	1	123.9460	0.000	1	124.5084	1.637	8	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]HH){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.8190	0.000	1	124.8190	0.000	1	124.5084	1.637	8	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a,6a]-3:C[5a]-3:C-2:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3)	C(C[5a]C[5a,6a]C[5a])(N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CN){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CH3){4|C<3>}	C(C[5a]C[5a,6a]C[5a])(N)	124.5503	1.486	6	124.5503	2.207	6	124.5084	1.637	8	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]HH){1|N<3>,2|C<3>}	C(C[5a]C[5a]2)(N)	127.3762	0.446	5	127.3762	0.199	5	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]I)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CH3){1|I<1>}	C(C[5a]C[5a]2)(N)	123.8970	0.000	1	123.8970	0.000	1	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<3>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(N)	121.0555	0.641	2	123.3087	3.274	6	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<2>}	C(C[5a]C[5a]2)(N)	124.1910	0.083	3	123.3087	3.274	6	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CCHH){1|N<3>}	C(C[5a]C[5a]2)(N)	125.1680	0.000	1	123.3087	3.274	6	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3)	C(C[5a]C[5a]2)(N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CN){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CH3){1|N<3>}	C(C[5a]C[5a]2)(N)	123.5110	0.000	1	123.5110	0.000	1	124.9339	5.495	13	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.1675	1.056	2	127.1675	1.115	2	126.7073	1.193	3	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CN){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CBrHH){1|H<1>,1|S<4>,2|C<3>}	C(C[5a]C[5a]N[5a])(N)	125.7870	0.000	1	125.7870	0.000	1	126.7073	1.193	3	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CN){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CCHH){2|H<1>}	C(C[5a]C[5a]N[5a])(N)	129.3315	0.009	2	129.3315	0.000	2	129.3315	0.000	2	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	N[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH)	C(C[5a]N[5a,6a]C[5a])(N)	C[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)(CN){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(CCCH){1|C<3>,1|N<2>}	C(C[5a]N[5a,6a]C[5a])(N)	129.9555	0.879	2	129.9555	0.773	2	129.9555	0.773	2	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:1:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N-1:	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CN)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(N)	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]C)(CN){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|Co<4>,1|C<3>}	C(C[5a]C[5a]N[5a])(N)	127.0660	0.000	1	127.0660	0.000	1	127.0660	0.000	1	125.5009	5.150	41	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a,6a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3)	C(C[5a]C[5a,6a]C[5a])(CH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CH3){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(CH)	126.0490	0.250	2	126.0490	0.063	2	126.0490	0.063	2	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[5])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CC[5])	126.7645	1.068	2	126.7645	1.142	2	127.1091	1.350	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C(C[5a]C[5a]2)(CC[6a])	126.6530	1.356	4	126.5361	1.042	7	127.1091	1.350	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CC[6a])	126.3803	0.552	3	126.5361	1.042	7	127.1091	1.350	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CPt)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CPt)	128.1125	0.691	2	128.1125	0.477	2	127.1091	1.350	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CSi)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C(C[5a]C[5a]2)(CSi)	127.7823	1.247	4	127.7823	1.555	4	127.1091	1.350	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCo2C)	C(C[5a]C[5a]2)(CC)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC){1|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CCo2C){1|H<1>}	C(C[5a]C[5a]2)(CC)	123.7010	0.000	1	123.7010	0.000	1	123.7010	0.000	1	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SiC3)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]H)(CC){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(SiC3){1|H<1>,1|S<4>}	C(C[5a]C[5a]2)(CC[6a])	126.7460	0.000	1	126.7460	0.000	1	126.7460	0.000	1	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[5])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]C[5a]2)(CC[5])	123.9445	0.619	2	123.9445	0.383	2	124.6258	1.176	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]C[5a]2)(CC[6a])	125.4998	0.902	5	125.2850	1.039	7	124.6258	1.176	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CC[6a])	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C(C[5a]C[5a]2)(CC[6a])	124.7480	1.474	2	125.2850	1.039	7	124.6258	1.176	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CPt)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]C[5a]2)(CPt)	123.8510	0.212	2	123.8510	0.045	2	124.6258	1.176	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3)	C(C[5a]C[5a]2)(CSi)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CC){1|B<4>,1|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CH3){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[5a]C[5a]2)(CSi)	124.2002	1.141	4	124.2002	1.301	4	124.6258	1.176	15	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a])	127.8870	0.000	1	127.8870	0.000	1	128.2895	0.676	6	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH)	C(C[5a]C[5a]N[5a])(CC[6a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CCHH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a])	128.3780	1.030	4	128.3780	1.061	4	128.2895	0.676	6	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	C[5a]-3:N[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3)	C(C[5a]C[5a]N[5a])(CC[5a])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CH3){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a])	128.3380	0.000	1	128.3380	0.000	1	128.2895	0.676	6	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	N[5a,6]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3)	C(C[5a]N[5a,6]C[5a])(CSi)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C)(CC){1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(CH3){1|B<4>,1|C<3>}	C(C[5a]N[5a,6]C[5a])(CSi)	126.6257	0.948	6	126.6257	0.899	6	126.6257	0.899	6	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C-2:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3)	C(C[5a]C[5a]N[5a])(CC)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(CC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CC)	131.4910	0.000	1	131.4910	0.000	1	131.4910	0.000	1	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:2:	N[5a]-3:C[5a]-3:C-2:	C[5a]-3:C[5a]-3:Si-4:	C[5a]-3:C-2:	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(SiC3)	C(C[5a]C[5a]N[5a])(CSi)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Si)(CC){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]C)(SiC3){2|C<3>}	C(C[5a]C[5a]N[5a])(CSi)	130.9220	0.000	1	130.9220	0.000	1	130.9220	0.000	1	126.4682	3.693	48	126.7791	9.352	810	126.7296	8.535	968
727	727	983	0:SP2_SP1_SP2	C[5a]	C[5a]	C	3:3:2:	3:3:4:	3:4:	C[5a]-3:C[5a]-3:C-2:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C-4:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	C(C[5a]C[5a]2)(CCHH)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(CC){1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|N<3>}	C(C[5a]C[5a]2)(CCHH)	129.8180	0.000	1	129.8180	0.000	1	129.8180	0.000	1	129.8180	0.000	1	126.7791	9.352	810	126.7296	8.535	968
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a,6a]	P[5]	3:3:2:	3:3:3:	3:4:	C[5,6a,6a]-3:C[6a]-3:P[5]-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:P[5]-4:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5])	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a]2)(C[5,6a]C[6a]P[5])2{2|C<3>,2|H<1>,4|C<4>}	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]CC){1|H<1>,3|C<3>}	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:As[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5])	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5]){1|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(As[5]P[5]){1|H<1>,2|C<3>}	122.0185	0.047	2	122.0185	0.002	2	122.0185	0.002	2	120.9407	0.766	6	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:P[5]-2:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(P[5]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]){1|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(P[5]P[5]){1|H<1>,2|C<3>}	120.4017	0.337	4	120.4017	0.114	4	120.4017	0.114	4	120.9407	0.766	6	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C){1|H<1>,2|C<3>}	110.1260	0.000	1	110.1260	0.000	1	109.7033	0.137	3	110.0093	0.466	4	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(P[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|C<4>,4|C<3>}	109.4920	0.079	2	109.4920	0.006	2	109.7033	0.137	3	110.0093	0.466	4	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5])	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5])	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5]){2|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]){1|H<1>,4|C<3>}	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.0093	0.466	4	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|C<4>,1|H<1>,4|C<3>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	111.2573	0.090	7	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	P[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)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	111.3570	0.044	2	111.3570	0.002	2	111.3523	0.032	6	111.2573	0.090	7	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]P){1|C<4>,1|H<1>,2|C<3>}	111.3280	0.000	1	111.3280	0.000	1	111.3523	0.032	6	111.2573	0.090	7	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|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>}	111.5200	0.004	2	111.3573	0.079	3	111.3523	0.032	6	111.2573	0.090	7	114.3813	25.543	17	114.5434	24.514	18
727	727	987	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	P[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){2|H<1>,4|C<3>}	111.0320	0.000	1	111.3573	0.079	3	111.3523	0.032	6	111.2573	0.090	7	114.3813	25.543	17	114.5434	24.514	18
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5,5a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5,5a]-3:N[5a]-3:P-4:	C[5,6a]-3:C[5,5a]-3:C[5a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P)	P(C[5a]C[5,5a]N[5a])(OC)2(O)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3){3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5a]N[5a]P){1|O<1>,2|C<3>,2|H<1>}	P(C[5a]C[5,5a]N[5a])(OC)2(O)	134.5130	0.000	1	134.5130	0.000	1	134.5130	0.000	1	134.5130	0.000	1	134.5130	0.000	1	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	125.9350	0.000	1	125.9350	0.000	1	125.9350	0.000	1	126.8050	1.514	2	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a,6a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	127.6750	0.000	1	127.6750	0.000	1	127.6750	0.000	1	126.8050	1.514	2	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	129.1600	0.000	1	129.1600	0.000	1	129.5588	1.513	4	127.7790	16.972	5	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	128.0220	0.000	1	128.0220	0.000	1	129.5588	1.513	4	127.7790	16.972	5	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	130.5265	0.381	2	130.5265	0.145	2	129.5588	1.513	4	127.7790	16.972	5	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	120.6600	0.000	1	120.6600	0.000	1	120.6600	0.000	1	127.7790	16.972	5	127.5007	11.793	7	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:2:4:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3)	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(PO3){1|C<3>}	C[5a](C[5a]S[5a]P)(N[5a]C[5a])(CH3){1|C<3>}	P(C[5a]C[5a]S[5a])(OC)2(O)	127.9830	0.000	1	127.9830	0.000	1	127.9830	0.000	1	127.9830	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:2:4:	3:2:2:2:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:O-2:O-2:O-2:	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	P(C[5a]C[5a]N[5a])(OB)(OC)2	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	P(C[5a]C[5a]N[5a])(OB)(OC)2	128.7150	1.583	2	128.7150	2.504	2	128.3965	1.313	4	128.3965	1.313	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:2:4:	3:2:2:2:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:O-2:O-2:O-2:	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	P(C[5a]C[5a]N[5a])(OB)2(OC)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	P(C[5a]C[5a]N[5a])(OB)2(OC)	128.0780	1.014	2	128.0780	1.028	2	128.3965	1.313	4	128.3965	1.313	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(OC)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	P(C[5a]C[5a]S[5a])(OC)2(O)	125.9620	0.000	1	125.9620	0.000	1	126.2320	0.146	2	127.4810	4.753	3	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PO3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	P(C[5a]C[5a]S[5a])(OC[6a])2(O)	126.5020	0.000	1	126.5020	0.000	1	126.2320	0.146	2	127.4810	4.753	3	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:2:2:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:Se-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PSeOO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	P(C[5a]C[5a]S[5a])(OC[6a])2(Se)	129.9790	0.000	1	129.9790	0.000	1	129.9790	0.000	1	127.4810	4.753	3	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:2:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:C-2:O-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]CO){1|C<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)(O)	131.5070	0.000	1	131.5070	0.000	1	131.5070	0.000	1	131.5070	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2O){1|C<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	127.1930	0.000	1	127.1930	0.000	1	127.1930	0.000	1	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H)	P(C[5a]C[5a]O[5a])3(O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H){1|H<1>}	P(C[5a]C[5a]O[5a])3(O)	132.0923	2.950	3	132.0923	8.704	3	132.0923	8.704	3	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:Cl-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])3(Cl)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2Cl){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	P(C[5a]C[5a]S[5a])3(Cl)	126.2520	1.117	3	126.2520	1.247	3	126.2520	1.247	3	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])3(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]2O){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|Br<1>}	P(C[5a]C[5a]S[5a])3(O)	127.1640	2.346	3	127.1640	5.502	3	127.1640	5.502	3	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(O)	130.1685	5.181	2	130.1685	26.842	2	130.1685	26.842	2	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2S){1|B<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|B<3>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(S)	128.7170	0.000	1	128.7170	0.000	1	128.7170	0.000	1	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:Se-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(Se)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[6a]2Se){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|C<3>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2(Se)	128.4840	3.889	2	128.4840	15.125	2	128.4840	15.125	2	128.6493	9.935	15	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:3:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])4	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PC[5a]3){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|H<1>}	P(C[5a]C[5a]S[5a])4	125.1040	2.143	4	125.1040	4.592	4	125.1040	4.592	4	125.1040	4.592	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:4:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:B-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2B)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(BH3)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PC[6a]2B){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(BH3)	129.1720	0.000	1	129.1720	0.000	1	129.1720	0.000	1	131.2080	2.991	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:3:3:4:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H)	P(C[5a]C[5a]O[5a])3(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H){1|H<1>}	P(C[5a]C[5a]O[5a])3(CCHH)	131.8867	1.313	3	131.8867	1.723	3	131.8867	1.723	3	131.2080	2.991	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:4:1:1:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:H-1:O-1:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(PCHO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(H){1|N<3>}	P(C[5a]C[5a]S[5a])(CC3)(H)(O)	125.2380	0.000	1	125.2380	0.000	1	125.2380	0.000	1	125.2380	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:4:4:4:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:C-4:B-4:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(PBCC){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	P(C[5a]C[5a]N[5a])(CCHH)2(BH3)	130.1397	1.129	3	130.1397	1.274	3	130.1397	1.274	3	129.5746	22.449	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:B-4:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B)	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]P)(H)	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(PC[6]2B){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[5a]S[5a]P)(H){3|C<3>}	P(C[5a]C[5a]S[5a])(C[6]C[6]2H)2(BH3)	123.5450	2.175	2	123.5450	4.731	2	123.5450	4.731	2	129.5746	22.449	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:B-4:C-4:C-4:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]P)(Br)	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]P)(Br){1|H<1>}	P(C[5a]C[5a]S[5a])(BH3)(CC3)(CH3)	134.9010	0.000	1	134.9010	0.000	1	134.9010	0.000	1	129.5746	22.449	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:1:	3:4:4:4:	C[5a]-3:S[5a]-2:P-4:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C-4:B-4:C-4:	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(Br)	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	C[5a](C[5a]C[5a]Br)(S[5a]C[5a])(PBCC){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(Br){1|H<1>}	P(C[5a]C[5a]S[5a])(CBrHH)(BH3)(CC3)	134.6120	0.000	1	134.6120	0.000	1	134.6120	0.000	1	129.5746	22.449	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:2:2:1:	C[5a]-3:N[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3){2|C<3>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O){3|C<3>}	P(C[5a]C[5a]N[5a])(OC)2(O)	126.5970	0.000	1	126.5970	0.000	1	126.5970	0.000	1	127.4640	1.503	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:2:2:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	P(C[5a]C[5a]N[5a])(OC)2(O)	128.3310	0.000	1	128.3310	0.000	1	128.3310	0.000	1	127.4640	1.503	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(PC[6a]2O){1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	126.8655	1.153	2	126.8655	1.330	2	126.8655	1.330	2	134.3389	24.313	8	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(O)	133.1370	0.000	1	133.1370	0.000	1	133.1370	0.000	1	134.3389	24.313	8	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:3:3:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2(S)	137.5686	0.944	5	137.5686	0.890	5	137.5686	0.890	5	134.3389	24.313	8	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:3:	3:4:4:1:	C[5a]-3:O[5a]-2:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-4:C[6]-4:S-1:	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]P)(C[6a]C[6a]2){3|H<1>,4|C<3>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2(S)	135.7710	0.000	1	135.7710	0.000	1	135.7710	0.000	1	135.7710	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:4:	3:3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2O){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a]C)(CH3){1|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	129.1160	0.000	1	129.1160	0.000	1	129.1160	0.000	1	131.2545	9.146	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:2:4:	3:3:4:	3:3:3:1:	C[5a]-3:N[5a]-2:P-4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S)	C[5a](N[5a]N[5a]Ir)(C[5a]N[5a]P)(PC[6a]2S)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S){1|Ir<6>}	C[5a](N[5a]N[5a]Ir)(C[5a]N[5a]P)(PC[6a]2S)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(S)	133.3930	0.000	1	133.3930	0.000	1	133.3930	0.000	1	131.2545	9.146	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:1:	3:3:3:1:	N[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O)	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl)	P(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2O){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a,6a]P)(N[5a]C[5a,6a])(Cl){2|C<3>}	P(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	135.1250	0.000	1	135.1250	0.000	1	135.1250	0.000	1	135.1250	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:3:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO){1|C<4>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	128.1070	0.000	1	128.1070	0.000	1	128.1070	0.000	1	128.1070	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:4:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(PC[6a]2O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O){2|C<3>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	125.9210	0.000	1	125.9210	0.000	1	125.9210	0.000	1	126.7072	15.690	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:4:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:O[5a]-2:C[6]-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O)	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	123.2830	0.141	2	123.2830	0.020	2	123.2830	0.020	2	126.7072	15.690	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:4:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(N[5a]O[5a])(CH3){1|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	128.3420	0.000	1	128.3420	0.000	1	128.3420	0.000	1	126.7072	15.690	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:4:	3:3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O)	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a]C)(PC[6a]2O){1|C<3>}	C[5a](C[5a]N[5a]P)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	132.7070	0.000	1	132.7070	0.000	1	132.7070	0.000	1	126.7072	15.690	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:2:4:	3:3:3:2:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:C[6a]-3:C[6a]-3:S-2:	C[5a](N[5a]N[5a]Ir)(C[5a]N[5a]P)(PC[6a]2S)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(SIr)	C[5a](N[5a]N[5a]Ir)(C[5a]N[5a]P)(PC[6a]2S)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2S){1|Ir<6>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(SIr)	137.1120	0.000	1	137.1120	0.000	1	137.1120	0.000	1	137.1120	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(PO3){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|Cl<1>,1|H<1>,2|N<2>}	P(C[5a]C[5a]N[5a])(OC)2(O)	129.6550	0.000	1	129.6550	0.000	1	129.6550	0.000	1	129.0765	0.669	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(OC[5])2(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PO3){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){2|H<1>}	P(C[5a]C[5a]N[5a])(OC[5])2(O)	128.4980	0.000	1	128.4980	0.000	1	128.4980	0.000	1	129.0765	0.669	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:2:2:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:S-2:O-2:O-2:	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(POOS)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(SPd)(OC)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(POOS){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Pd<4>,1|P<4>}	P(C[5a]C[5a]N[5a])(SPd)(OC)2	134.8745	0.080	2	134.8745	0.006	2	134.8745	0.006	2	134.8745	0.006	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:4:4:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:C-4:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|H<1>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	132.5460	3.062	4	132.5460	9.378	4	132.5460	9.378	4	133.1046	13.778	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:C-4:C-4:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Al<4>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	127.9890	0.000	1	127.9890	0.000	1	133.8493	25.811	3	133.1046	13.778	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:2:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-2:C-4:C-4:	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	C[5a](N[5a]C[5a]Ga)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Ga<3>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a])(CCCH)2	136.7795	0.327	2	136.7795	0.107	2	133.8493	25.811	3	133.1046	13.778	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]P)(H)	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	C[5a](C[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	121.3550	0.000	1	121.3550	0.000	1	121.3550	0.000	1	125.2640	21.580	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	125.2640	21.580	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]P)(C[5a]N[5a]C)(H){1|C<4>,1|H<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	125.2640	21.580	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:Se-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se)	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(Se)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se){1|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]N[5a]P)(H){1|C<4>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(Se)	130.3255	0.698	2	130.3255	0.487	2	130.3255	0.487	2	125.2640	21.580	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	122.6285	0.258	2	122.3547	0.258	3	122.2160	0.990	5	122.2160	0.990	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]P)(C[5a]S[5a]C)(H){1|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	121.8070	0.000	1	122.3547	0.258	3	122.2160	0.990	5	122.2160	0.990	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|S<2>,2|C<3>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]P)(H){3|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	122.0080	1.816	2	122.0080	3.297	2	122.2160	0.990	5	122.2160	0.990	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:3:	C[5a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3){2|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]P)(H){1|H<1>,3|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	123.6525	1.768	2	123.6525	3.128	2	123.6525	3.128	2	124.9730	6.795	3	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:O-1:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O)	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3){1|Pd<4>,1|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]P)(O){1|Pd<4>,1|C<4>,2|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	127.6140	0.000	1	127.6140	0.000	1	127.6140	0.000	1	124.9730	6.795	3	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:3:4:	N[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:C[6a]-3:C[6a]-3:C-4:	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CH3)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]Cl)(PC[6a]2C){4|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]P)(Cl){4|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(CH3)	126.3860	0.000	1	126.3860	0.000	1	126.3860	0.000	1	126.3860	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:C-4:C-4:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Al<4>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	133.1140	0.000	1	134.9108	1.216	5	132.7474	9.945	9	132.7474	9.945	9	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:C-4:C-4:	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	C[5a](N[5a]C[5a]Al)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Al<5>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a]Al)(CCCH)2	135.3600	0.525	4	134.9108	1.216	5	132.7474	9.945	9	132.7474	9.945	9	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:C-4:C-4:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Rh<4>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a]B)(CCCH)2	127.7040	0.153	2	127.7040	0.023	2	132.7474	9.945	9	132.7474	9.945	9	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:3:4:4:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N-3:C-4:C-4:	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(PCCN){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Rh<4>,1|P<4>}	P(C[5a]C[5a]N[5a])(NC[6a]Rh)(CCCH)2	132.3825	0.363	2	132.3825	0.132	2	132.7474	9.945	9	132.7474	9.945	9	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:4:1:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:H-1:O-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(PCHO){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]N[5a])(CC3)(H)(O)	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:1:	3:4:2:1:	N[5a]-3:C[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C-4:O-2:O-1:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(PCOO){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(H){1|H<1>,3|C<3>}	P(C[5a]C[5a]N[5a])(CC3)(OH)(O)	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:2:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	125.7390	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:2:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<2>,1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	124.6545	0.146	2	124.2212	1.903	5	124.2212	1.903	5	124.2212	1.903	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:2:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	124.5440	0.000	1	124.2212	1.903	5	124.2212	1.903	5	124.2212	1.903	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:2:	3:3:3:2:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a])	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(PC[6a]2O){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]P)(S[5a]C[5a]){1|B<4>,1|H<1>,3|C<3>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	123.6265	2.531	2	124.2212	1.903	5	124.2212	1.903	5	124.2212	1.903	5	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PO3){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	128.0000	0.000	1	128.0000	0.000	1	128.0000	0.000	1	132.5917	14.406	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]P)(C[6a]C[6a]2){2|C<3>,3|H<1>}	P(C[5a]C[5a]N[5a])(OC)2(O)	132.9455	2.607	2	132.9455	6.797	2	134.1223	7.553	3	132.5917	14.406	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(C[5a]N[5a]P)(C[6a]C[6a]2){1|O<2>,3|C<3>,4|H<1>}	P(C[5a]C[5a]N[5a])(OC)2(O)	136.4760	0.000	1	136.4760	0.000	1	134.1223	7.553	3	132.5917	14.406	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(PC[6a]2S){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(S)	131.7400	0.000	1	131.7400	0.000	1	131.7400	0.000	1	132.2565	0.534	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6a]2O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	132.7730	0.000	1	132.7730	0.000	1	132.7730	0.000	1	132.2565	0.534	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a,6a]-3:C[5a]-3:C-3:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC)	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]C)(PC[6a]3){2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)(CCC){2|C<3>,2|H<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	127.8585	1.350	2	127.8585	1.822	2	127.8585	1.822	2	127.8585	1.822	2	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:3:	3:4:4:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-4:C[6]-4:O-1:	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2)	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(PC[6]2O){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	P(C[5a]C[5a]N[5a])(C[6]C[6]2H)2(O)	128.2660	0.000	1	128.2660	0.000	1	128.2660	0.000	1	128.2660	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:2:2:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O-2:O-2:O-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3)	P(C[5a]C[5a]N[5a])(OC)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(PO3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]P)(CF3){1|C<4>,1|H<1>,2|C<3>}	P(C[5a]C[5a]N[5a])(OC)2(O)	130.9900	0.000	1	130.9900	0.000	1	130.9900	0.000	1	130.9900	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a,6a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH)	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(PC[6a]2O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a]H)(CCHH){2|C<3>}	P(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2(O)	124.1580	0.000	1	124.1580	0.000	1	124.1580	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]P)(C[5a]N[5a]H)(CCCH){1|C<4>,1|O<2>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	133.4720	0.000	1	133.4720	0.000	1	133.4720	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(PC[6a]2O){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]P)(N[5a]C[5a]O)(CH3){1|C<4>,1|H<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(O)	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S)	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(PC[6a]2S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]P)(N[5a]C[5a]H)(CC3){1|C<4>,1|H<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(S)	129.7920	0.000	1	129.7920	0.000	1	129.7920	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:C[5a]-3:P-4:	N[5a,5a]-3:C[5a]-3:C-4:	C[5a]-3:C[5a]-3:C[6a]-3:S-1:	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S)	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH)	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	C[5a](C[5a]C[5a,5a]H)(C[5a]N[5a,5a]C)(PC[5a]C[6a]S){2|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]P)(CCHH){1|H<1>,3|C<3>}	P(C[5a]C[5a]2)2(C[6a]C[6a]2)(S)	127.7970	0.000	1	127.7970	0.000	1	127.7970	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(PC[6a]2O){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]P)(CC[6a]CH){2|C<3>,2|H<1>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	132.7540	0.000	1	132.7540	0.000	1	132.7540	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5a]-3:N[5a]-3:P-4:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-1:	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(PC[6a]2O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(CH3){1|C<4>,1|H<1>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2(O)	135.3490	0.000	1	135.3490	0.000	1	135.3490	0.000	1	128.8716	34.046	7	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	3:3:4:	3:3:4:	3:3:3:3:	C[5a]-3:C[5a]-3:P-4:	N[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3)	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]P)(CH3)	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(PC[6a]3){1|Pd<4>,1|C<3>}	C[5a](N[5a]N[5a]Pd)(C[5a]C[5a]P)(CH3){1|C<3>,1|O<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)3	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	125.3830	0.000	1	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	4:3:2:	3:3:1:	3:3:3:1:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H)	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H){1|P<4>}	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(O)	132.8820	1.543	6	132.8820	2.382	6	132.8820	2.382	6	132.8820	2.382	6	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	4:3:2:	3:3:1:	3:3:3:4:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:C-4:	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H)	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]P)(H){1|H<1>}	P(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)(CCHH)	129.5238	2.664	4	129.5238	7.096	4	129.5238	7.096	4	129.5238	7.096	4	129.1246	21.634	135	129.0828	21.247	143
727	727	992	0:SP2_SP2_SP3	C[5a]	C[5a]	P	4:3:3:	3:3:1:	3:3:3:1:	P-4:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:O-1:	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H)	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	C[5a](PC[5a]C[6a]O)(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]P)(H){1|Ni<4>,1|C<3>}	P(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)(O)	121.2220	0.125	4	121.2220	0.016	4	121.2220	0.016	4	121.2220	0.016	4	129.1246	21.634	135	129.0828	21.247	143
727	727	994	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	I[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	I[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	111.4359	0.501	10	111.4359	0.251	10	111.4359	0.251	10	111.4359	0.251	10	111.6664	0.810	11	111.6664	0.810	11
727	727	994	5:SP2_SP-NON_SP2	C[5,6a]	C[5,6a]	I[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[5,6a]-3:N[5]-2:	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5])	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO)	I[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,2|H<1>}	I[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	113.9710	0.000	1	111.6664	0.810	11	111.6664	0.810	11
727	727	996	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Si[4,5]	3:4:3:	3:3:3:	3:4:3:3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]Si[4,5]C[6a])2(C[5,6a,6a]C[5,6a]2)	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a]Si[4,5]C[6a])2(C[5,6a,6a]C[5,6a]2){2|C<4>,2|H<1>,2|N<3>,4|C<3>}	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	113.5505	2.399	2	113.5505	5.756	2	113.5505	5.756	2	113.5505	5.756	2	112.8177	4.489	3	112.8177	4.489	3
727	727	996	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Si[4,5]	3:4:3:	3:3:3:	5:3:4:3:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a,6a]-3:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2)	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	C[5,6a,6a](C[5,6a]Si[4,4,5]C[6a])(C[5,6a]Si[4,5]C[6a])(C[5,6a,6a]C[5,6a]2){1|O<2>,2|C<3>,2|H<1>,3|C<4>,3|N<3>}	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC){1|H<1>,2|C<4>,8|C<3>}	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	111.3520	0.000	1	112.8177	4.489	3	112.8177	4.489	3
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a])	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a]){4|C<3>}	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	137.0445	0.795	2	137.0445	0.633	2	137.0445	0.633	2	135.4218	3.723	4	135.4218	3.723	4	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a]){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5]){1|Si<4>,1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,3|C<3>}	133.7990	0.058	2	133.7990	0.003	2	133.7990	0.003	2	135.4218	3.723	4	135.4218	3.723	4	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5a,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	140.8285	0.190	2	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5a,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	141.0315	0.175	2	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5a,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5a,6a]-3:C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5])	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])2(C[5,5a]C[5,5a]Se[5]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	141.2415	0.373	2	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	141.0338	0.075	6	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,5a]	C[5a]	Se[5]	3:3:2:	3:3:1:	3:3:	N[5,5a]-3:C[5a]-3:Se[5]-2:	C[5a,6a]-3:C[5,5a]-3:H-1:	C[5,5a]-3:C[5]-3:	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H)	Se[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(Se[5]C[5]){1|Se<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]Se[5])(H){1|H<1>,4|C<3>}	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>}	138.2035	0.057	2	138.2035	0.003	2	138.2035	0.003	2	138.2035	0.003	2	138.2035	0.003	2	136.6669	33.233	14
727	727	997	0:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<2>,2|H<1>,5|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,4|C<3>}	124.5195	0.139	2	124.5195	0.019	2	124.5195	0.019	2	124.5195	0.019	2	124.5195	0.019	2	136.6669	33.233	14
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:2:2:	3:2:2:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5])	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5])	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	C[5,5a](C[5,5a]S[5a]Se[5])(S[5a]C[5a])(Se[5]C[5]){1|C<3>,1|O<1>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]Se[5]C[5]){2|Se<2>,1|C<3>,1|S<2>}	119.7185	0.026	2	119.7185	0.001	2	119.7185	0.001	2	119.7185	0.001	2	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:2:2:	3:3:3:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a])	C[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]S[5a]Se[5])(C[5,6a]C[5,6a]2)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(S[5a]C[5,5a])(Se[5]C[5,6a]){1|Se<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5])(C[5,5a]S[5a]Se[5])(C[5,6a]C[5,6a]2){1|Se<2>,1|H<1>,4|C<3>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,4|C<3>}	115.0695	0.005	2	115.0695	0.000	2	115.0695	0.000	2	113.8995	1.919	4	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:2:2:	3:3:3:	3:3:	C[5,5a]-3:S[5a]-2:Se[5]-2:	C[5,5a]-3:C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5])	C[5,5a](C[5,5a]C[5,5a]C[5,6a])(C[5,5a]S[5a]Se[5])(C[5]C[5]H)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]C[5])(S[5a]C[5,5a])(Se[5]C[5]){1|Se<2>,1|Si<4>,1|C<3>,1|H<1>}	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>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]Si){1|H<1>,2|C<3>}	112.7295	0.530	2	112.7295	0.281	2	112.7295	0.281	2	113.8995	1.919	4	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:2:3:	3:3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5])	C[5,5a](C[5,5a]C[5,5a]Se[5])(S[5a]C[5,5a])(C[5]C[5]H)	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]S[5a]C[5])(Se[5]C[5]){1|Si<4>,1|H<1>,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>}	Se[5](C[5,5a]C[5,5a]2)(C[5]C[5]Si){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	109.6025	0.248	2	109.6025	0.062	2	109.6025	0.062	2	109.6025	0.062	2	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,5a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:C[5,6a]-3:S[5a]-2:	C[5,6a]-3:C[5,5a]-3:	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a])	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,5a]C[5,6a]S[5a])(Se[5]C[5,6a]){4|C<3>}	C[5,5a](C[5,5a]C[5,5a]Se[5])(C[5,6a]C[5,6a]2)(S[5a]C[5,5a]){1|Se<2>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,3|C<3>}	112.2365	0.507	2	112.2365	0.257	2	112.2365	0.257	2	112.2365	0.257	2	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]C)(C[5]C[5]H)	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	110.9838	0.141	4	110.9838	0.020	4	110.8417	0.081	6	110.8417	0.081	6	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,5a]	C[5,5a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[5,5a]-3:Se[5]-2:	C[5,5a]-3:N[5a]-3:C[5]-3:	C[5,5a]-3:C[5]-3:	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5])	C[5,5a](C[5,5a]C[5a,6a]Se[5])(N[5a]C[5a,6a]H)(C[5]C[5]H)	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H)	C[5,5a](C[5a,6a]C[5a,6a]2)(C[5,5a]N[5a]C[5])(Se[5]C[5]){1|N<2>,2|C<3>,3|H<1>}	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>}	Se[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]H){1|H<1>,1|N<3>,2|C<3>}	110.5575	0.317	2	110.5575	0.101	2	110.8417	0.081	6	110.8417	0.081	6	112.7352	10.071	16	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|N<2>,1|O<2>,5|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|O<2>,4|C<3>}	109.2020	0.000	1	108.6330	0.648	2	108.6330	0.648	2	108.6350	2.118	6	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:C[3x6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x6a]C[6a,6a]C[3x6a])(C[5,6a]C[6a]Se[5]){1|O<2>,6|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|O<2>,4|C<3>}	108.0640	0.000	1	108.6330	0.648	2	108.6330	0.648	2	108.6350	2.118	6	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O)	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Se[5]C[5,6a])(C[6a]C[6a]O){1|O<2>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|O<2>,5|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|O<2>,4|C<3>}	107.0670	0.250	2	107.0670	0.063	2	107.0670	0.063	2	108.6350	2.118	6	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a,6a]-3:C[5,6a]-3:C[3x6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[3x6a]C[6a,6a]2){1|H<1>,6|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])2{2|H<1>,4|C<3>}	110.2050	0.181	2	110.2050	0.033	2	110.2050	0.033	2	108.6350	2.118	6	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|C<4>,3|C<3>}	117.6250	0.676	2	118.5973	3.065	3	117.8854	1.725	8	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){4|C<3>}	120.5420	0.000	1	118.5973	3.065	3	117.8854	1.725	8	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	117.1330	0.737	2	116.8770	0.468	3	117.8854	1.725	8	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|H<1>,3|C<3>}	116.3650	0.000	1	116.8770	0.468	3	117.8854	1.725	8	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,2|O<2>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|O<2>,3|C<3>}	118.3300	0.199	2	118.3300	0.040	2	117.8854	1.725	8	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:2:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6,6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5])	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(Se[5]Se[5]){1|H<1>,3|C<3>}	C[5,6a,6a](C[6,6a,6a]C[6,6a]2)(C[5,6a]C[6a]Se[5])2{2|Cl<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(Se[5]C[5,6a]){1|Cl<1>,3|C<3>}	117.7180	0.310	4	117.7180	0.096	4	117.7180	0.096	4	117.8296	1.131	12	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Se[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C){1|H<1>,3|C<3>}	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	110.1940	0.000	1	114.5242	21.166	19	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:2:	3:2:2:	3:3:	C[5,6a]-3:N[6a]-2:Se[5]-2:	C[5,6a]-3:N[6a]-2:Se[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5])	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5])	Se[5](C[5,6a]C[5,6a]N[6a])(C[5]Se[5]C[5])	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5]){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]Se[5])(N[6a]C[6a])(Se[5]C[5]){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]N[6a])(C[5]Se[5]C[5]){1|C<3>,1|N<2>,2|S<2>}	118.7915	1.288	2	118.7915	1.658	2	118.7915	1.658	2	118.7915	1.658	2	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5a]-3:	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Se[5]){1|Se<2>,1|H<1>,1|S<2>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,3|C<3>}	113.7660	0.132	2	113.7660	0.017	2	113.7660	0.017	2	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5,5a]C[5,5a]2)	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5,5a]C[5,5a]2){1|Se<2>,1|H<1>,1|S<2>,5|C<3>}	Se[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,4|C<3>}	112.6955	0.504	2	112.6955	0.254	2	112.6955	0.254	2	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5a,6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5a,6a]C[5a,6a]2)	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]Se[5])(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,6|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	115.3077	0.203	4	115.3077	0.041	4	115.3077	0.041	4	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])2{2|C<4>,4|C<3>}	112.3865	0.036	2	112.3865	0.001	2	112.6156	0.138	10	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2)	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]2){2|H<1>,6|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	112.3315	0.173	4	112.3315	0.030	4	112.6156	0.138	10	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(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[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,4|C<3>}	113.1410	0.025	2	113.1410	0.001	2	112.6156	0.138	10	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(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[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	112.8875	0.138	2	112.8875	0.019	2	112.6156	0.138	10	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:2:3:	3:3:3:	3:3:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	113.6707	0.427	3	113.6707	0.183	3	113.6707	0.183	3	113.3963	1.209	21	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(Se[5]N[5]){1|H<1>,2|C<3>}	116.0640	0.000	1	116.0640	0.000	1	116.0640	0.000	1	115.9490	0.026	2	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:Se[5]-2:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]Se[5]){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|H<1>,2|C<3>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(Se[5]N[5]){3|C<3>}	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	115.9490	0.026	2	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|H<1>,4|C<3>}	109.6420	0.000	1	109.6420	0.000	1	109.8332	0.233	4	111.6570	4.451	11	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,2|C<3>}	109.8970	0.570	3	109.8970	0.324	3	109.8332	0.233	4	111.6570	4.451	11	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5]){1|H<1>,4|C<3>}	113.3010	0.292	4	113.3010	0.085	4	113.3010	0.085	4	111.6570	4.451	11	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:S[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5])	Se[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]F)(Se[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]F)(N[5]S[5]){1|C<3>,1|N<2>,2|F<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(S[5]N[5]N){1|F<1>,2|C<3>}	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	111.6570	4.451	11	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]N[5])(Se[5]C[5]){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|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>}	110.1150	0.477	2	110.1150	0.227	2	110.1150	0.227	2	111.6570	4.451	11	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Se[5]C[5,6a]){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2){1|C<4>,1|H<1>,4|C<3>}	113.6940	0.173	2	113.6940	0.030	2	113.6940	0.030	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|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>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Si<4>,1|H<1>,4|C<3>}	111.5755	0.279	2	111.5755	0.078	2	112.2299	0.350	7	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|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>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	112.5425	0.636	2	112.4916	0.205	5	112.2299	0.350	7	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|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>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	112.6820	0.000	1	112.4916	0.205	5	112.2299	0.350	7	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	112.3455	0.576	2	112.4916	0.205	5	112.2299	0.350	7	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6]-3:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2){2|Se<2>,1|H<1>,3|C<3>}	111.7185	1.092	2	111.7185	1.194	2	111.7185	1.194	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5]){1|H<1>,4|C<3>}	112.6590	0.174	2	112.6590	0.030	2	112.6590	0.030	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.1453	0.318	3	114.1453	0.101	3	114.1453	0.101	3	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[5,5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5])	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)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5])	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]Se[5]){1|H<1>,4|C<3>}	112.4030	0.556	2	112.4030	0.309	2	112.4030	0.309	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]Se[5])(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Si<4>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si){2|C<3>,2|H<1>}	110.2455	0.111	2	110.2455	0.012	2	110.2455	0.012	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	Se[5](C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])2{2|H<1>,4|C<3>}	112.0695	0.093	2	112.0695	0.009	2	112.0695	0.009	2	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]B[5])(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[5])(Se[5]C[5]){1|Si<4>,1|B<3>,1|H<1>,2|C<3>,2|O<2>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si){1|B<3>,1|H<1>,2|C<3>}	110.4790	0.000	1	110.4790	0.000	1	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	112.0535	0.183	2	112.0535	0.034	2	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|S<2>,2|C<3>}	110.9130	0.000	1	110.9130	0.000	1	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	111.3650	0.106	2	111.3650	0.011	2	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){2|C<3>,2|H<1>}	111.1105	0.299	2	111.1105	0.089	2	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|C<4>,1|H<1>,2|C<3>}	111.4550	0.000	1	111.4550	0.000	1	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	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>}	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>}	110.8610	0.000	1	110.8610	0.000	1	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	112.1913	0.166	3	112.1913	0.028	3	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	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>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H){1|H<1>,1|I<1>,2|C<3>}	111.9480	0.000	1	111.9480	0.000	1	111.5206	0.351	14	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	111.2550	0.000	1	111.2550	0.000	1	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	111.3820	0.000	1	111.3820	0.000	1	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])(Se[5]N[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|O<1>,3|C<3>}	113.8030	0.000	1	113.8030	0.000	1	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){2|C<3>,2|H<1>}	111.3560	0.000	1	111.3560	0.000	1	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){2|H<1>,4|C<3>}	112.9655	0.243	2	112.9655	0.059	2	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	111.7510	0.025	2	112.0373	0.326	12	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	111.3920	0.165	3	112.0373	0.326	12	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	112.2657	0.321	6	112.0373	0.326	12	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	113.1750	0.000	1	112.0373	0.326	12	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,4|C<3>}	112.0722	0.405	6	112.0722	0.164	6	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<2>,1|O<1>,4|C<3>}	114.6590	0.000	1	112.9758	2.025	4	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:N[5]-3:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,4|C<3>}	112.4147	1.071	3	112.9758	2.025	4	112.2325	0.717	28	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	111.9030	0.000	1	111.2446	0.162	13	111.1239	0.261	15	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	111.1898	0.366	12	111.2446	0.162	13	111.1239	0.261	15	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|C<2>,1|H<1>,2|C<3>}	110.7180	0.000	1	110.3395	0.287	2	111.1239	0.261	15	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|H<1>,3|C<3>}	109.9610	0.000	1	110.3395	0.287	2	111.1239	0.261	15	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:N[5,5]-3:	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5]){1|H<1>,2|C<4>,4|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	112.6440	0.000	1	112.6440	0.000	1	112.6440	0.000	1	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	Se[5](C[5,6a]C[6a,6a]C[5,6a])2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a]){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])2{6|C<3>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5])	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(Se[5]C[5]){3|C<3>,4|H<1>}	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>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H){1|H<1>,3|C<3>}	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[5,6a]-3:Se[5]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]Se[5])(C[5]C[5]H)	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(Se[5]C[5]){1|C<4>,1|H<1>,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>}	Se[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5]){1|H<1>,5|C<3>}	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	111.9301	0.997	83	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:3:	4:3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[5,6a]-3:	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	Se[5](C[5,6]Se[6]C[6]N[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:O[5]-2:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC)	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(Se[5]O[5]){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5]){2|C<3>,3|C<4>}	114.5630	1.054	2	114.5630	1.110	2	114.5630	1.110	2	114.5630	1.110	2	112.3794	2.586	123	112.6733	5.881	158
727	727	997	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	Se[5]	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Se[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.7160	0.000	1	112.3794	2.586	123	112.6733	5.881	158
727	727	998	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,5a]	3:4:3:	3:3:3:	3:3:3:3:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])4{4|H<1>,8|C<3>}	109.7957	0.136	8	109.7957	0.019	8	109.7957	0.019	8	109.7957	0.019	8	109.7957	0.019	8	109.5480	0.838	22
727	727	998	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a,6]	3:4:3:	3:3:3:	3:4:4:2:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	107.5180	0.000	1	109.5480	0.838	22
727	727	998	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:3:4:	3:3:2:	3:4:3:1:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-4:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:B[5a]-4:C[6a]-3:H-1:	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]B[5a]C[6a]H){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){2|H<1>,7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])(C[6a]C[6a]2)(H){2|C<4>,9|C<3>}	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	109.7421	0.653	12	109.5480	0.838	22
727	727	998	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:4:3:	3:3:3:	3:2:4:4:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	109.7421	0.653	12	109.5480	0.838	22
727	727	998	5:SP2_SP2_SP3	C[5a,6a]	C[5a,6a]	N[5a]	3:4:3:	3:3:3:	3:3:3:3:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	109.9188	0.488	10	109.9188	0.238	10	109.9188	0.238	10	109.9188	0.238	10	109.7421	0.653	12	109.5480	0.838	22
727	727	998	5:SP2_SP2_SP3	C[5a]	C[5a,6a]	N[5a]	3:4:3:	3:3:3:	4:3:3:1:	C[5a,6a]-3:N[5a]-4:B-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	B[5,5a]-4:C[5a]-3:C[6a]-3:H-1:	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]B[5,5a]C[6a]H)(BC[6a]2){1|H<1>,2|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	N[5a](B[5,5a]N[5a,6a]O[5]2)(C[5a]C[5a,6a]B)(C[6a]C[6a]2)(H){4|C<3>,4|C<4>}	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	107.2660	0.000	1	109.5480	0.838	22
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	N[5]	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]B[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,2|F<1>,4|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(B[5]C[5,6a]FF)(CH3)2{1|H<1>,3|C<3>}	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	109.4697	1.040	7	110.2684	5.994	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	N[5]	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	108.7650	0.542	2	108.7650	0.293	2	109.1235	0.241	6	109.4697	1.040	7	110.2684	5.994	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	N[5]	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	109.0085	0.371	2	109.0085	0.138	2	109.1235	0.241	6	109.4697	1.040	7	110.2684	5.994	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	N[5]	3:3:4:	3:3:3:	3:4:4:4:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	109.5970	0.205	2	109.5970	0.042	2	109.1235	0.241	6	109.4697	1.040	7	110.2684	5.994	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a,6a]	N[5]	3:4:3:	3:3:3:	3:4:4:4:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[5,6a]-3:Ga[5]-4:C-4:C-4:	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2)	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	C[5,6a,6a](C[5,6a]C[6a]Ga[5])(C[5,6a]C[6a]N[5])(C[6a,6a]C[6a]2){2|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(Ga[5]C[5,6a]Cl2)(CH3)2{1|H<1>,3|C<3>}	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	110.2684	5.994	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[3x5]	4:3:3:	3:3:3:	3:3:3:5:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:In[3x5]-5:	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	N[3x5](C[5,6a]C[5,6a]C[6a])3(In[3x5]N[5]3Ni)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	N[3x5](C[5,6a]C[5,6a]C[6a])3(In[3x5]N[5]3Ni){3|C<4>,3|H<1>,6|C<3>}	117.1630	0.011	2	117.1630	0.000	2	117.1630	0.000	2	117.1630	0.000	2	117.1630	0.000	2	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5,5]	4:3:3:	3:4:3:	3:4:4:1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5]-4:H-1:	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5,6]	4:3:3:	3:4:3:	3:4:4:1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:3:4:	3:4:1:1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:3:4:	3:4:4:1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:B-4:H-1:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(BC[6a]3)(H){2|C<3>,3|H<1>}	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:3:4:	3:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]C)(CH3)2{3|H<1>,4|C<3>}	111.5050	0.000	1	111.5050	0.000	1	111.3600	0.042	2	111.3600	0.042	2	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:3:4:	3:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]Cl)(CH3)2{3|H<1>,4|C<3>}	111.2150	0.000	1	111.2150	0.000	1	111.3600	0.042	2	111.3600	0.042	2	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:4:3:	3:4:1:1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]HH){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	110.6700	0.000	1	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:4:3:	3:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5,5]FF)(CH3)2{1|H<1>,2|C<3>,2|O<2>}	112.4260	0.000	1	112.4260	0.000	1	112.4260	0.000	1	115.0230	5.364	3	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:4:3:	3:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]BrH)(CH3)2{1|H<1>,4|C<3>}	115.7690	0.000	1	115.7690	0.000	1	116.3215	0.611	2	115.0230	5.364	3	112.4151	6.347	8	111.8302	8.951	20
727	727	999	5:SP2_SP2_SP3	C[5,6a]	C[5,6a]	N[5]	3:3:4:	3:4:3:	3:4:4:4:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[5,6a]-3:B[5]-4:C-4:C-4:	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(B[5]P[5]HH)(CH3)2{1|H<1>,4|C<3>}	116.8740	0.000	1	116.8740	0.000	1	116.3215	0.611	2	115.0230	5.364	3	112.4151	6.347	8	111.8302	8.951	20
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:N[6,6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	126.8437	5.430	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	127.7363	6.751	3	126.8437	5.430	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	129.2090	0.700	2	129.2090	0.490	2	129.2090	0.490	2	127.7363	6.751	3	126.8437	5.430	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	127.9400	0.000	1	127.9400	0.000	1	127.9400	0.000	1	127.9400	0.000	1	126.8437	5.430	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	126.8437	5.430	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[5a,6]-3:	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]B[5a]C[5a])(C[5a,6]N[5a,6]C[6]){2|Cl<1>,3|H<1>,4|C<3>}	128.8640	0.000	1	128.8640	0.000	1	128.8640	0.000	1	128.8640	0.000	1	128.8640	0.000	1	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	126.0330	1.122	3	126.0330	1.259	3	126.1920	2.386	5	126.1920	2.386	5	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	128.2790	0.000	1	128.2790	0.000	1	126.1920	2.386	5	126.1920	2.386	5	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	124.5820	0.000	1	124.5820	0.000	1	126.1920	2.386	5	126.1920	2.386	5	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	130.3170	0.000	1	130.3170	0.000	1	130.3170	0.000	1	130.3170	0.000	1	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](B[5,6]C[5,6a]O[5]O[6])(C[5a,6]C[6,6a]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<3>,2|H<1>,6|C<3>}	131.9765	0.248	2	131.9765	0.062	2	131.9765	0.062	2	131.9765	0.062	2	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	131.8160	0.000	1	131.8160	0.000	1	131.8160	0.000	1	131.8160	0.000	1	128.5607	9.334	9	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	128.4130	0.000	1	128.4130	0.000	1	128.4130	0.000	1	127.8732	0.549	6	127.8732	0.549	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	127.8732	0.549	6	127.8732	0.549	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O){2|F<1>,3|C<3>,3|H<1>}	127.8755	0.180	2	127.8755	0.033	2	127.8755	0.033	2	127.8732	0.549	6	127.8732	0.549	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O){2|O<2>,3|C<3>,3|H<1>}	128.2920	0.399	2	128.2920	0.159	2	128.2920	0.159	2	127.8732	0.549	6	127.8732	0.549	6	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){2|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	126.4780	0.000	1	126.4780	0.000	1	126.4780	0.000	1	125.5325	1.788	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]N[6a]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	124.5870	0.000	1	124.5870	0.000	1	124.5870	0.000	1	125.5325	1.788	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	124.9090	0.000	1	125.3100	0.322	2	125.3100	0.322	2	125.5018	0.156	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){3|C<3>,3|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	125.7110	0.000	1	125.3100	0.322	2	125.3100	0.322	2	125.5018	0.156	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:S[6]-2:S-1:	C[5a,5a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a,6]C[6])(CCHH){1|O<1>,1|S<1>,4|S<2>}	125.6935	0.023	2	125.6935	0.001	2	125.6935	0.001	2	125.5018	0.156	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<3>,2|N<2>}	135.2080	0.000	1	135.2080	0.000	1	135.2080	0.000	1	127.6693	42.639	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N){4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.9000	0.177	2	123.9000	0.031	2	123.9000	0.031	2	127.6693	42.639	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	127.1520	0.000	1	127.1520	0.000	1	127.1520	0.000	1	127.1520	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,2|N<2>}	136.5380	0.000	1	136.5380	0.000	1	136.5380	0.000	1	136.5380	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.7825	0.211	2	128.7825	0.045	2	128.7825	0.045	2	134.2686	4.229	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	134.2050	0.000	1	134.2050	0.000	1	134.8781	0.790	18	134.2686	4.229	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	135.1646	0.591	11	135.1646	0.349	11	134.8781	0.790	18	134.2686	4.229	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	135.4240	0.000	1	134.4650	1.510	6	134.8781	0.790	18	134.2686	4.229	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	134.2732	1.269	5	134.4650	1.510	6	134.8781	0.790	18	134.2686	4.229	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	126.7850	0.000	1	126.7850	0.000	1	126.7850	0.000	1	126.7850	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1	130.6200	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	130.4990	0.000	1	130.4990	0.000	1	130.4990	0.000	1	131.0885	0.695	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:I-1:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I){2|C<3>,2|C<4>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	131.6780	0.000	1	131.6780	0.000	1	131.6780	0.000	1	131.0885	0.695	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	126.9475	0.672	2	126.9475	0.452	2	126.9475	0.452	2	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:B[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(B[5a]C[6a]N[5a])(H){1|H<1>,1|O<1>,4|C<3>}	127.3890	0.164	2	127.3890	0.027	2	127.3890	0.027	2	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|O<1>,1|S<2>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]S)(H){1|O<1>,1|S<2>,2|C<3>}	125.9050	0.000	1	125.9050	0.000	1	125.9050	0.000	1	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,1|S<2>,2|C<3>}	125.2520	0.000	1	125.2520	0.000	1	125.2963	0.067	3	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|O<1>,1|S<2>,4|C<3>}	125.3185	0.361	2	125.3185	0.131	2	125.2963	0.067	3	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	130.3260	0.000	1	130.3260	0.000	1	130.8235	0.495	2	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	131.3210	0.000	1	131.3210	0.000	1	130.8235	0.495	2	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	126.0460	0.000	1	126.0460	0.000	1	127.3637	6.833	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O){2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	127.3860	0.000	1	127.3860	0.000	1	127.3637	6.833	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<1>,3|C<3>}	125.0180	0.000	1	125.0180	0.000	1	127.3637	6.833	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	131.0050	0.000	1	131.0050	0.000	1	127.3637	6.833	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	124.5335	0.287	4	124.6946	0.192	5	124.6946	0.192	5	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	125.3390	0.000	1	124.6946	0.192	5	124.6946	0.192	5	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[5,6])(C[5a,6]C[5a,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	130.3150	0.000	1	130.3150	0.000	1	130.3150	0.000	1	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	129.3185	0.193	2	129.3185	0.037	2	129.3185	0.037	2	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|O<1>,2|N<3>}	132.4980	0.000	1	132.4980	0.000	1	132.4980	0.000	1	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.1370	0.482	2	123.1370	0.233	2	124.1315	1.400	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.1260	0.113	2	125.1260	0.013	2	124.1315	1.400	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,1|N<3>,1|S<1>}	130.6510	1.530	2	130.8660	1.309	3	130.8660	1.309	3	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>}	131.2960	0.000	1	130.8660	1.309	3	130.8660	1.309	3	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	132.2670	0.000	1	132.2670	0.000	1	131.9982	0.257	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	132.0720	0.717	2	131.9087	0.337	3	131.9982	0.257	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	131.5820	0.000	1	131.9087	0.337	3	131.9982	0.257	4	127.7532	9.301	34	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]N[5a])2(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){3|C<3>,4|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	129.3650	0.690	10	129.3650	0.476	10	129.3650	0.476	10	129.4102	0.787	13	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	130.7990	0.000	1	130.7990	0.000	1	130.7990	0.000	1	129.4102	0.787	13	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CN){2|H<1>,4|C<3>}	130.1200	0.000	1	130.1200	0.000	1	130.1200	0.000	1	129.4102	0.787	13	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	127.7640	0.000	1	127.7640	0.000	1	127.7640	0.000	1	129.4102	0.787	13	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])2(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	125.5680	0.584	2	125.5680	0.341	2	125.5680	0.341	2	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	125.7570	0.000	1	125.7570	0.000	1	127.0467	1.263	3	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	127.6915	0.176	2	127.6915	0.031	2	127.0467	1.263	3	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	128.0770	0.000	1	128.0770	0.000	1	128.0770	0.000	1	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	127.5670	0.000	1	127.5670	0.000	1	127.2083	0.217	3	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	127.3760	0.000	1	127.3760	0.000	1	127.2083	0.217	3	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Pd<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	126.6820	0.000	1	126.6820	0.000	1	127.2083	0.217	3	126.8864	1.073	9	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,2|C<3>}	129.4943	0.150	3	129.4943	0.023	3	129.4943	0.023	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	126.5400	0.000	1	126.5400	0.000	1	126.5400	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]Ir)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	133.6110	0.000	1	133.6110	0.000	1	133.6110	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){2|H<1>,4|C<3>}	126.5665	0.265	2	126.5665	0.070	2	126.5665	0.070	2	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CH3){1|O<1>,2|C<3>}	129.6597	0.457	3	129.6597	0.209	3	129.6597	0.209	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<4>,1|O<1>,2|C<3>}	128.2080	0.000	1	128.2080	0.000	1	128.2080	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|H<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|H<1>,1|O<1>,4|C<3>}	127.0300	0.000	1	127.0300	0.000	1	127.0300	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:S-4:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	129.1590	0.000	1	129.1590	0.000	1	129.1590	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|N<3>,2|H<1>,3|C<3>}	128.9470	0.000	1	128.9470	0.000	1	128.9470	0.000	1	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	125.3780	0.000	1	125.3780	0.000	1	129.6483	13.887	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	131.3250	0.000	1	131.3250	0.000	1	129.6483	13.887	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|O<1>,2|N<3>}	132.2420	0.000	1	132.2420	0.000	1	129.6483	13.887	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|H<1>,4|C<3>}	132.3085	1.163	2	132.3085	1.353	2	131.8513	1.304	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Pd)(CC[6a]HH){1|H<1>,3|C<3>}	130.9370	0.000	1	130.9370	0.000	1	131.8513	1.304	3	129.4295	5.190	20	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|N<2>,3|C<3>}	128.7590	0.000	1	128.7590	0.000	1	128.7590	0.000	1	129.1305	1.453	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H){6|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)(H){1|O<2>,3|C<3>}	128.9360	0.000	1	128.9360	0.000	1	128.9360	0.000	1	129.1305	1.453	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.9950	0.000	1	127.9950	0.000	1	127.9950	0.000	1	129.1305	1.453	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	130.8320	0.000	1	130.8320	0.000	1	130.8320	0.000	1	129.1305	1.453	4	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CC[6a]HH){1|C<4>,1|N<3>,2|N<2>}	133.0450	0.000	1	133.0450	0.000	1	133.0450	0.000	1	132.3025	1.103	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-2:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC){1|C<4>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<2>,1|H<1>,2|C<3>}	131.5600	0.000	1	131.5600	0.000	1	131.5600	0.000	1	132.3025	1.103	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:O[5a]-2:O-1:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	128.1260	0.000	1	128.1260	0.000	1	128.1260	0.000	1	128.1260	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,5|C<3>}	126.6090	0.000	1	126.6090	0.000	1	126.6090	0.000	1	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	131.3060	0.767	2	131.3060	0.588	2	131.4097	0.326	3	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	131.6170	0.000	1	131.6170	0.000	1	131.4097	0.326	3	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,5|C<3>}	129.8050	0.000	1	129.8050	0.000	1	129.8050	0.000	1	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.2190	0.000	1	126.2190	0.000	1	127.9340	5.882	2	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	129.6490	0.000	1	129.6490	0.000	1	127.9340	5.882	2	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[5]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6]){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	130.4060	0.000	1	130.4060	0.000	1	130.4060	0.000	1	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<4>,1|N<2>,2|N<3>}	133.9720	0.000	1	133.7370	0.110	2	133.4478	0.624	16	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	133.5020	0.000	1	133.7370	0.110	2	133.4478	0.624	16	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){3|N<3>}	134.0730	1.348	2	133.3947	0.753	13	133.4478	0.624	16	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	133.2714	0.783	11	133.3947	0.753	13	133.4478	0.624	16	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|N<2>,2|N<3>}	133.5600	0.000	1	133.5600	0.000	1	133.4478	0.624	16	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	126.5220	0.000	1	126.5220	0.000	1	126.5220	0.000	1	131.9442	6.246	25	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	131.6275	0.431	2	131.6275	0.185	2	131.6275	0.185	2	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Ru<8>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]HH){1|Ru<8>,3|C<3>}	136.6530	0.000	1	136.6530	0.000	1	133.3486	6.436	5	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|Rh<6>,3|C<3>}	135.3890	0.000	1	135.3890	0.000	1	133.3486	6.436	5	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	132.0760	0.000	1	132.0005	0.011	2	133.3486	6.436	5	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|H<1>,3|C<3>}	131.9250	0.000	1	132.0005	0.011	2	133.3486	6.436	5	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|I<1>,3|C<3>}	130.7000	0.000	1	130.7000	0.000	1	133.3486	6.436	5	132.8569	5.027	7	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	131.1780	0.000	1	131.1780	0.000	1	131.1780	0.000	1	128.4863	5.850	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	127.1405	0.913	2	127.1405	0.833	2	127.1405	0.833	2	128.4863	5.850	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5,6]-3:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	129.6480	0.000	1	129.6480	0.000	1	129.6480	0.000	1	129.6480	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|Pd<4>,1|C<4>,4|C<3>}	133.2710	0.000	1	133.2710	0.000	1	133.2710	0.000	1	133.2710	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	127.8700	0.000	1	127.8700	0.000	1	127.8700	0.000	1	127.8700	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.2470	0.000	1	125.2470	0.000	1	125.1347	0.057	10	125.1347	0.057	10	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.3307	0.191	3	125.1222	0.062	9	125.1347	0.057	10	125.1347	0.057	10	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|O<1>,2|C<3>,3|C<4>}	124.9135	0.093	4	125.1222	0.062	9	125.1347	0.057	10	125.1347	0.057	10	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.0390	0.000	1	125.1222	0.062	9	125.1347	0.057	10	125.1347	0.057	10	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.4150	0.000	1	125.1222	0.062	9	125.1347	0.057	10	125.1347	0.057	10	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	133.3260	0.000	1	133.3260	0.000	1	133.3260	0.000	1	127.6670	24.696	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	124.8375	1.165	2	124.8375	1.356	2	124.8375	1.356	2	127.6670	24.696	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)(CHHO){1|O<1>,2|C<4>}	128.8170	0.000	1	128.8170	0.000	1	128.8170	0.000	1	127.3403	2.279	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	125.8000	0.000	1	125.8000	0.000	1	125.8000	0.000	1	127.3403	2.279	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	127.4040	0.000	1	127.4040	0.000	1	127.4040	0.000	1	127.3403	2.279	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:2:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	129.3890	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	128.1567	0.277	3	128.1567	0.077	3	128.1567	0.077	3	128.1567	0.077	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	132.0500	0.000	1	132.0500	0.000	1	132.0500	0.000	1	128.7980	9.570	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	125.8920	0.000	1	125.8920	0.000	1	127.1720	3.277	2	128.7980	9.570	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	128.4520	0.000	1	128.4520	0.000	1	127.1720	3.277	2	128.7980	9.570	3	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	4:3:1:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.7340	0.468	2	123.7340	0.219	2	123.7340	0.219	2	123.7340	0.219	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	4:3:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	130.7715	0.827	2	130.7715	0.683	2	130.7715	0.683	2	130.7715	0.683	2	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a]	3:3:3:	4:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(H){1|H<1>,2|C<4>,3|C<3>}	124.9460	0.000	1	124.9460	0.000	1	124.9460	0.000	1	124.9460	0.000	1	129.4656	12.255	185	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|B<4>,1|C<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6])(B[6]N[5a,6]FF){1|Br<1>,5|C<3>}	125.4930	0.000	1	125.4930	0.000	1	125.4930	0.000	1	125.4930	0.000	1	125.4930	0.000	1	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:2:2:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2)	C[6](C[5a]N[5a]2)(N[6]N[6])2	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2){2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]N[6])2{1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	123.4480	1.556	2	123.4480	2.420	2	123.4480	2.420	2	123.4480	2.420	2	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:2:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<2>,1|H<1>,3|C<3>}	122.8980	0.000	1	122.8980	0.000	1	122.8980	0.000	1	122.9825	0.014	2	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:2:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2){1|H<1>,1|N<3>,2|N<2>}	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|N<2>,1|N<3>}	123.0670	0.000	1	123.0670	0.000	1	123.0670	0.000	1	122.9825	0.014	2	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){3|C<3>}	124.9750	0.628	2	124.9750	0.394	2	126.0980	0.590	9	126.0980	0.590	9	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	126.2612	0.401	5	126.2612	0.161	5	126.0980	0.590	9	126.0980	0.590	9	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:2:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|N<2>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	126.8130	0.074	2	126.8130	0.005	2	126.0980	0.590	9	126.0980	0.590	9	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	123.7283	1.392	3	123.6905	1.298	4	123.7554	0.995	5	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	123.5770	0.000	1	123.6905	1.298	4	123.7554	0.995	5	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){5|C<3>}	124.0150	0.000	1	124.0150	0.000	1	123.7554	0.995	5	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){3|C<3>}	124.2370	0.000	1	124.2370	0.000	1	124.6227	0.160	8	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	124.5344	0.373	5	124.5344	0.139	5	124.6227	0.160	8	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){3|C<3>}	125.0365	0.179	2	125.0365	0.032	2	124.6227	0.160	8	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6])	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]N[6]){1|Mn<6>,1|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|N<3>,3|C<3>}	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|H<1>,4|C<3>}	122.3670	0.000	1	122.3670	0.000	1	122.3670	0.000	1	124.0361	0.975	15	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:2:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NH){4|C<3>}	127.4210	0.000	1	127.4210	0.000	1	127.4210	0.000	1	127.4210	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2)	C[5a](N[5a]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]2){1|N<2>,2|H<1>,5|C<3>}	128.1135	1.841	2	128.1135	3.388	2	128.1135	3.388	2	127.3959	2.794	8	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	125.2810	0.000	1	125.2810	0.000	1	127.1567	2.959	6	127.3959	2.794	8	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a]N[5a]C[6])2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]C[6])2(NHH){4|C<3>}	125.7805	0.569	2	125.7805	0.324	2	127.1567	2.959	6	127.3959	2.794	8	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NHH){4|C<3>}	128.7940	0.000	1	128.7940	0.000	1	127.1567	2.959	6	127.3959	2.794	8	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N-3:	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a]N[5a]C[6])2(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](C[5a]N[5a]C[6])2(NHH){4|C<3>}	128.6520	0.119	2	128.6520	0.014	2	127.1567	2.959	6	127.3959	2.794	8	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	124.4550	3.502	3	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CCCH){1|H<1>,4|C<3>}	122.4950	0.000	1	122.4950	0.000	1	124.3590	6.949	2	124.4550	3.502	3	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:3:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|H<1>,4|C<3>}	126.2230	0.000	1	126.2230	0.000	1	124.3590	6.949	2	124.4550	3.502	3	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	3:4:3:	3:3:4:	N[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5a](N[5a]C[5a]C[5])(N[5a]C[5a])(C[6]C[6]2){2|C<4>,2|H<1>,2|N<2>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	127.5700	0.000	1	127.5700	0.000	1	127.5700	0.000	1	127.5700	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:2:3:	4:3:3:	3:3:1:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-4:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2)	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6]C[6]2){1|Tb<12>,1|H<1>,1|O<3>,4|C<3>}	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H){1|Br<1>,1|H<1>,1|O<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	126.1010	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	125.2390	0.000	1	125.2390	0.000	1	125.3185	0.013	2	125.3185	0.013	2	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:2:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	125.3980	0.000	1	125.3980	0.000	1	125.3185	0.013	2	125.3185	0.013	2	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	124.6670	0.000	1	124.6670	0.000	1	125.3355	0.429	6	125.3355	0.429	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(H){1|N<3>,2|C<3>}	125.6230	0.000	1	125.6230	0.000	1	125.3355	0.429	6	125.3355	0.429	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[5a]N[5a]C[6])2(H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])2(H){2|C<3>,2|N<3>}	125.4308	0.726	4	125.4308	0.527	4	125.3355	0.429	6	125.3355	0.429	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:N[5a]-3:N[5a]-2:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:N-2:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(NC){1|N<2>,1|N<3>,2|C<3>}	126.4342	0.719	4	126.4342	0.516	4	126.4342	0.516	4	126.4342	0.516	4	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	118.9508	0.455	14	118.9508	0.207	14	120.0846	2.685	22	120.0846	2.685	22	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	121.4650	0.946	2	121.4650	0.895	2	120.0846	2.685	22	120.0846	2.685	22	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.2702	0.682	6	122.2702	0.465	6	120.0846	2.685	22	120.0846	2.685	22	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:2:4:	3:3:2:	N[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:N[6]-2:C[6]-4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	127.1505	0.594	4	127.1505	0.353	4	127.1505	0.353	4	127.1505	0.353	4	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a,6,6]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6,6]C[6])(C[5a]C[5a,6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	121.1725	0.380	2	121.1725	0.144	2	121.1725	0.144	2	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	117.9213	0.760	3	117.9213	0.577	3	118.8325	2.074	12	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|I<1>,1|O<2>,4|C<3>}	119.4093	1.843	4	119.1362	2.293	9	118.8325	2.074	12	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,5|C<3>}	118.8680	1.943	3	119.1362	2.293	9	118.8325	2.074	12	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	118.9925	0.206	2	119.1362	2.293	9	118.8325	2.074	12	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	123.0850	0.256	2	123.0850	0.066	2	123.0850	0.066	2	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	119.4030	0.000	1	119.4030	0.000	1	119.1190	0.161	2	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,2|C<4>}	118.8350	0.000	1	118.8350	0.000	1	119.1190	0.161	2	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.3670	1.056	3	118.3571	0.499	7	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|O<2>}	118.3498	0.505	4	118.3571	0.499	7	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	121.2585	0.448	4	120.1490	1.676	8	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|C<4>}	118.4840	0.211	2	120.1490	1.676	8	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<4>,1|O<2>,2|C<3>}	119.5950	0.068	2	120.1490	1.676	8	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	119.2528	1.133	5	118.9416	1.185	7	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|C<4>}	118.1635	0.531	2	118.9416	1.185	7	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]I)(H){1|C<3>,1|O<2>,2|C<4>}	119.0914	2.005	10	119.0914	4.019	10	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)(H){1|C<3>,1|O<2>,2|C<4>}	121.1520	0.061	2	121.1520	0.004	2	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	118.6004	0.439	11	119.0318	1.877	15	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	120.2182	2.358	4	119.0318	1.877	15	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|F<1>}	122.7997	0.681	7	122.7997	0.464	7	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|F<1>,3|C<3>}	123.6947	0.690	3	123.6947	0.476	3	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|O<2>,2|H<1>}	121.7194	1.035	11	121.7194	1.071	11	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	122.0040	0.000	1	122.4441	0.778	10	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	122.7173	0.866	7	122.4441	0.778	10	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	121.7080	0.837	2	122.4441	0.778	10	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	121.2097	0.762	7	121.6917	1.327	11	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	122.5353	1.331	4	121.6917	1.327	11	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	117.5105	0.507	4	117.5105	0.257	4	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	117.4270	0.448	6	117.4270	0.200	6	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,3|O<2>}	121.7645	0.549	2	121.7645	0.302	2	120.3083	4.446	103	120.2243	4.366	122	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|O<2>,2|H<1>}	124.8820	0.000	1	124.8820	0.000	1	125.2110	0.194	4	125.2110	0.194	4	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:2:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(CH3){1|O<2>,2|H<1>,3|C<3>}	125.3207	0.468	3	125.3207	0.219	3	125.2110	0.194	4	125.2110	0.194	4	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2){2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	124.5290	0.000	1	124.5290	0.000	1	124.5290	0.000	1	124.5290	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2	N[5a](C[5a]C[5a,6a]C[6])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6])2(H){6|C<3>}	120.2840	0.481	2	120.2840	0.231	2	120.2117	0.098	4	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2	N[5a](C[5a]C[5a,6a]C[6])2(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2{1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6])2(H){6|C<3>}	120.1395	0.203	2	120.1395	0.041	2	120.2117	0.098	4	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.9670	0.000	1	123.4830	0.469	2	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	122.9990	0.000	1	123.4830	0.469	2	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	122.8302	0.573	4	122.8302	0.328	4	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	120.9810	1.851	2	120.9810	3.427	2	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(H){5|C<3>}	120.0430	0.457	3	120.0430	0.208	3	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){5|C<3>}	121.5720	0.000	1	121.5720	0.000	1	121.8292	2.350	12	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	123.9710	0.000	1	123.9710	0.000	1	123.9710	0.000	1	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>}	119.2700	0.000	1	119.2700	0.000	1	123.2315	7.006	4	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	N[5a](C[5a]C[5a]C[6])2(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6])2(H){2|C<3>,2|H<1>,2|N<3>}	124.4655	0.223	2	124.4655	0.050	2	123.2315	7.006	4	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.7250	0.000	1	124.7250	0.000	1	123.2315	7.006	4	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]2)(H){2|C<3>,2|C<4>,2|N<3>}	120.8200	0.000	1	120.8200	0.000	1	120.4607	1.789	3	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.9800	0.000	1	118.9800	0.000	1	120.4607	1.789	3	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.5820	0.000	1	121.5820	0.000	1	120.4607	1.789	3	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6,6a]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[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.4090	0.000	1	123.7470	0.473	3	123.7470	0.473	3	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H)	C[5a](C[6]C[6,6a]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[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)(H){2|C<3>,2|H<1>}	123.9160	0.880	2	123.7470	0.473	3	123.7470	0.473	3	121.9320	3.369	28	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,8|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	124.5390	0.000	1	124.5390	0.000	1	124.5390	0.000	1	124.2170	6.031	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	122.9390	0.437	4	122.9390	0.191	4	122.9390	0.191	4	124.2170	6.031	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Pd)(C[6]C[6]N[6]){1|H<1>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	129.0070	0.000	1	129.0070	0.000	1	129.0070	0.000	1	124.2170	6.031	6	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]Pd)(C[6]C[6]N[6])(N[5a]C[5a]C){2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	131.8020	0.000	1	131.8020	0.000	1	131.8020	0.000	1	125.7472	12.017	5	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5,5a]-3:C[5a]-3:C-4:	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3)	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]S[5])(C[5a]C[5a]C[6])(CH3){1|H<1>,4|C<3>}	124.1580	0.000	1	124.1580	0.000	1	124.1580	0.000	1	125.7472	12.017	5	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.7472	12.017	5	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){2|C<3>,2|H<1>}	124.3560	0.000	1	124.3560	0.000	1	124.3560	0.000	1	125.7472	12.017	5	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	125.7472	12.017	5	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:3:4:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-4:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	N[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C[6])(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.1340	0.000	1	126.1340	0.000	1	126.1340	0.000	1	126.1340	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:4:2:	3:3:2:	N[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[6]-4:N[6]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6])	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	126.2542	1.368	4	126.2542	1.870	4	126.2542	1.870	4	126.2542	1.870	4	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:1:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP2	C[5a]	C[6]	N[5a]	3:3:3:	3:4:3:	3:3:2:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	128.7640	0.000	1	128.7640	0.000	1	128.7640	0.000	1	128.7640	0.000	1	122.0751	9.453	253	125.3272	23.359	461
727	762	813	0:SP2_SP2_SP3	C[5a,6]	C[6,6]	N[5a]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	128.0590	0.000	1	128.0590	0.000	1	128.0590	0.000	1	128.0590	0.000	1	128.0590	0.000	1	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a]	3:3:3:	3:2:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:S[6]-2:H-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	126.7590	0.000	1	126.7590	0.000	1	126.7590	0.000	1	126.7590	0.000	1	127.8085	9.856	4	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CH3){1|H<1>,1|N<3>,4|C<3>}	132.2730	0.000	1	132.2730	0.000	1	132.2730	0.000	1	132.2730	0.000	1	127.8085	9.856	4	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[4]-4:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[4]C[4]N[4]H){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	127.2640	0.000	1	127.2640	0.000	1	127.2640	0.000	1	126.1010	2.705	2	127.8085	9.856	4	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a]	3:3:3:	3:4:1:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:S-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(SCOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	126.1010	2.705	2	127.8085	9.856	4	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a]	C[6]	N[5a]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:N[5a]-3:N[5a]-2:	C[6,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a])	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a])	C[5a](C[6]C[6,6]C[6])(N[5a]C[5a]C)(N[5a]C[5a]){1|P<3>,2|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a]){2|C<2>,3|C<3>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	118.4897	16.779	3	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a]	C[6]	N[5a]	3:3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-2:C[6]-2:	C[5a]-3:C[5a]-3:C-2:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a])	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2){1|C<3>,4|C<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|N<2>,2|C<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C[6])(CC[6a]){2|C<2>,3|C<3>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	118.4897	16.779	3	124.3452	32.537	8
727	762	813	0:SP2_SP2_SP3	C[5a]	C[6]	N[5a]	3:3:3:	3:3:3:	3:2:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|O<1>,3|C<3>}	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	118.4897	16.779	3	124.3452	32.537	8
727	762	813	6:SP2_SP2_SP2	C[5a,6,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[5a,6,6]-3:C[5a,6a]-3:B[6]-4:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(B[6]N[5,6]OO){1|C<2>,1|H<1>,5|C<3>}	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	125.0115	0.519	2	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6,6]-3:B[6]-4:C[5a]-3:	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	125.0115	0.519	2	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a,6]	3:3:2:	3:3:4:	3:3:4:	N[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6]-3:C[6,6]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a])	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a,6a]){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	118.5288	1.456	6	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(C[5a]N[5a]C)(C[6]C[6]H){2|C<3>,2|H<1>}	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	117.0730	0.000	1	118.5288	1.456	6	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6]C[5a])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	118.5288	1.456	6	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6,6]	N[5a,6]	3:3:3:	3:4:3:	3:3:4:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]C[5a])(C[6]C[6]HO){2|C<4>,3|C<3>,3|H<1>}	118.6113	0.275	3	118.6113	0.076	3	118.6113	0.076	3	118.6113	0.076	3	118.5288	1.456	6	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a,6]-3:	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H)	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	N[5,5a,6](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,4|H<1>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6]){1|H<1>,3|N<3>,6|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	120.0770	0.000	1	120.0770	0.000	1	119.8255	0.127	2	119.8255	0.127	2	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-4:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,8|C<3>}	119.5740	0.000	1	119.5740	0.000	1	119.8255	0.127	2	119.8255	0.127	2	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|C<4>,7|C<3>}	119.1440	0.000	1	118.5875	0.619	2	118.5875	0.619	2	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	N[5,5a,6](Ga[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|C<4>,1|H<1>,7|C<3>}	118.0310	0.000	1	118.5875	0.619	2	118.5875	0.619	2	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	120.0273	0.440	4	120.0273	0.194	4	120.0753	0.217	22	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	119.6275	0.783	2	119.6275	0.613	2	120.0753	0.217	22	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2F)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	120.3335	0.210	2	120.3335	0.044	2	120.0753	0.217	22	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	120.0850	0.457	10	120.0850	0.209	10	120.0753	0.217	22	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	N[5,5a,6](Ge[5,3x6]N[5,5a,6]N[5a,6,6]2O)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){1|H<1>,1|N<3>,7|C<3>}	120.1940	0.527	4	120.1940	0.278	4	120.0753	0.217	22	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	120.2480	0.393	2	120.2307	0.078	3	120.2307	0.078	3	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	5:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2C[6a])(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,9|C<3>}	120.1960	0.000	1	120.2307	0.078	3	120.2307	0.078	3	120.0169	0.389	28	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2FF)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	120.7125	0.388	2	120.7125	0.151	2	120.6061	0.269	7	120.6061	0.269	7	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	120.3528	0.426	4	120.5636	0.358	5	120.6061	0.269	7	120.6061	0.269	7	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5,5a,6]	3:3:3:	3:3:3:	6:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5,5a]-3:C[5a,6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	N[5,5a,6](P[5,3x6]N[5,5a,6]N[5a,6,6]2OO)(C[5,5a]C[5,5a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,7|C<3>}	121.4070	0.000	1	120.5636	0.358	5	120.6061	0.269	7	120.6061	0.269	7	119.9388	1.610	38	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	114.6680	0.000	1	114.6680	0.000	1	114.6680	0.000	1	114.3893	0.068	3	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	114.3470	0.000	1	114.2500	0.019	2	114.2500	0.019	2	114.3893	0.068	3	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	114.1530	0.000	1	114.2500	0.019	2	114.2500	0.019	2	114.3893	0.068	3	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	114.9010	0.000	1	115.2802	0.511	10	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	115.4993	0.869	6	115.2802	0.511	10	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	114.9683	0.222	3	115.2802	0.511	10	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]N[5a]C[6]){2|H<1>,4|C<3>}	114.5930	0.000	1	114.5930	0.000	1	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	114.7210	0.000	1	114.7355	0.000	2	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	114.7500	0.000	1	114.7355	0.000	2	115.1435	0.452	13	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	114.6360	0.000	1	114.6360	0.000	1	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){1|B<3>,3|C<3>,3|H<1>}	113.4920	0.000	1	113.4920	0.000	1	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	113.7860	0.226	2	113.7860	0.051	2	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,5|C<3>}	113.9930	0.273	3	113.8852	0.061	6	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	113.6640	0.105	2	113.8852	0.061	6	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]C[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|H<1>,4|C<3>}	114.0040	0.000	1	113.8852	0.061	6	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){2|H<1>,4|C<3>}	113.4220	0.000	1	113.4220	0.000	1	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a,6](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6a]C[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|H<1>}	113.2630	0.000	1	113.2630	0.000	1	113.8080	0.148	12	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	112.5730	0.000	1	113.4430	1.514	2	113.4846	0.508	5	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	114.3130	0.000	1	113.4430	1.514	2	113.4846	0.508	5	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){2|H<1>,4|C<3>}	113.5490	0.000	1	113.5490	0.000	1	113.4846	0.508	5	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|C<3>,4|H<1>}	113.9990	0.000	1	113.4940	0.510	2	113.4846	0.508	5	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(C[5a,5a]C[5a]2){3|H<1>,4|C<3>}	112.9890	0.000	1	113.4940	0.510	2	113.4846	0.508	5	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:Se[5a,5a]-3:	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	N[5a,5a,6](C[5a,6]C[5a]C[6])2(Se[5a,5a]N[5a]2){3|C<3>,4|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	114.5044	1.730	31	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a,5a]-3:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	N[5a,5a,6](C[5a,6]C[5a]C[6])(C[5a,6]N[5a]C[6])(C[5a,5a]C[5a]2){1|C<4>,1|H<1>,4|C<3>}	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	114.4861	1.534	35	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:B[6,6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])(B[6,6]N[5a,6]O[6]C){1|H<1>,6|C<3>}	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	117.6640	0.000	1	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6,6]-4:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6,6a])(B[6,6]N[5a,6]C[6]O[6])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	117.7850	0.000	1	117.7850	0.000	1	117.7850	0.000	1	117.7850	0.000	1	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6,6](B[6,6]N[5a,6]C[6a]O[6])(C[5a,6]C[5a,6a]C[6,6a])(C[5a,6]C[5a,6a]C[6]){1|H<1>,8|C<3>}	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	118.2040	0.000	1	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	124.9035	0.054	2	124.7535	0.258	8	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	124.1640	0.000	1	124.7535	0.258	8	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	124.9680	0.714	3	124.7535	0.258	8	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	124.2670	0.000	1	124.7535	0.258	8	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|C<4>,2|H<1>,7|C<3>}	124.8860	0.000	1	124.7535	0.258	8	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|H<1>,4|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	125.2120	0.082	2	125.2120	0.007	2	124.8452	0.239	10	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](In[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|In<5>,2|C<4>,4|C<3>}	N[5a,6,6](In[4x6]N[5a,6,6]3Cl)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	124.7509	0.426	16	124.7509	0.181	16	124.7509	0.181	16	124.7872	0.197	26	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3CO)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,6|C<3>}	123.4989	0.209	8	123.4989	0.044	8	123.5851	0.143	16	123.5851	0.143	16	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:1:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	P[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	N[5a,6,6](P[4x6]N[5a,6,6]3C[6a]O)(C[5a,6]C[5a]C[6])2{2|C<4>,2|H<1>,8|C<3>}	123.6713	0.496	8	123.6713	0.246	8	123.5851	0.143	16	123.5851	0.143	16	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	117.7165	0.089	4	117.7165	0.008	4	117.7165	0.008	4	117.7165	0.008	4	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[3x6]-4:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2)	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6,6](C[5a,6]C[5a,6a]C[6])2(B[3x6]N[5a,6,6]2O){8|C<3>}	118.9718	0.119	6	118.9718	0.014	6	118.9718	0.014	6	118.9718	0.014	6	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	118.9070	0.533	6	118.9070	0.284	6	118.9070	0.284	6	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|C<4>,6|C<3>}	118.2895	0.260	6	118.2895	0.068	6	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	119.6223	0.700	6	119.6223	0.490	6	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2C[6a])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	118.9356	0.691	5	118.9356	0.477	5	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2F)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	119.1492	0.537	11	119.1492	0.288	11	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2H)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	119.1439	0.679	16	119.1439	0.461	16	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]2O)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	119.1575	0.693	46	119.1575	0.480	46	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](B[3x6]N[5a,6,6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	119.9646	0.393	8	119.9646	0.154	8	119.1842	0.499	98	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.1560	0.000	1	125.2830	0.032	2	124.7325	0.427	4	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.4100	0.000	1	125.2830	0.032	2	124.7325	0.427	4	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6])(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.1820	0.190	2	124.1820	0.036	2	124.7325	0.427	4	119.3743	1.596	108	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	126.7180	0.000	1	126.7180	0.000	1	126.7180	0.000	1	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[3x6]N[5a,6,6]N[6]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	123.9625	0.368	2	123.9625	0.136	2	123.9625	0.136	2	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.3063	0.319	7	125.4725	0.339	11	125.4725	0.339	11	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	126.4970	0.158	2	125.4725	0.339	11	125.4725	0.339	11	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{3|H<1>,7|C<3>}	125.0300	0.266	2	125.4725	0.339	11	125.4725	0.339	11	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	126.0130	0.371	2	126.0130	0.137	2	125.1123	1.130	4	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.2115	0.093	2	124.2115	0.009	2	125.1123	1.130	4	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	123.5770	2.188	2	123.5770	4.786	2	123.6312	2.835	6	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ge[3x6]N[5a,6,6]O[6]2Cl)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	123.6582	1.768	4	123.6582	3.127	4	123.6312	2.835	6	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ge[4x6]N[5a,6,6]3N[6])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	124.1757	0.955	8	124.1757	0.912	8	124.1757	0.912	8	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.6535	0.625	4	125.6535	0.391	4	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	126.1275	0.146	2	126.1275	0.021	2	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.7005	0.354	2	125.7005	0.126	2	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	126.8427	0.330	4	125.6206	1.098	14	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.1318	0.788	10	125.6206	1.098	14	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	123.6262	0.297	4	123.6262	0.088	4	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	123.9045	0.155	2	123.9045	0.024	2	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]F)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	123.7730	0.433	2	123.7730	0.187	2	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	123.4896	0.775	10	123.7764	0.650	14	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ge[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	N[5a,6,6](Ge[5,3x6]N[5,5a,6]2N[5a,6,6]O)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.4933	0.239	4	123.7764	0.650	14	124.7202	1.526	44	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	126.3495	0.532	2	126.3840	0.145	3	125.1009	1.555	7	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	126.4530	0.000	1	126.3840	0.145	3	125.1009	1.555	7	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	124.1750	0.525	2	124.1385	0.132	4	125.1009	1.555	7	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]C[6a])(C[5a,6]C[5a]C[6])2{10|C<3>,2|H<1>}	124.1020	0.341	2	124.1385	0.132	4	125.1009	1.555	7	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,4|H<1>,6|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]C[6a]O[6]2)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,8|C<3>}	122.1125	2.904	2	122.1125	8.434	2	122.1072	5.175	4	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Si[3x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6,6](Si[3x6]N[5a,6,6]O[6]2O)(C[5a,6]C[6,6a]C[5a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	122.1020	2.663	2	122.1020	7.091	2	122.1072	5.175	4	124.6242	1.941	87	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.1956	0.578	8	125.1823	0.239	11	125.1823	0.239	11	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Ga[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.1467	0.160	3	125.1823	0.239	11	125.1823	0.239	11	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	126.0890	0.530	2	126.0890	0.281	2	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	125.7458	0.262	4	125.9200	0.203	5	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	126.6170	0.000	1	125.9200	0.203	5	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]FF)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.4570	0.190	2	124.4570	0.036	2	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.7678	0.527	4	124.8126	0.218	5	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	P[5,3x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	N[5a,6,6](P[5,3x6]N[5,5a,6]2N[5a,6,6]OO)(C[5a,6]C[5a]C[6])2{2|H<1>,8|C<3>}	124.9920	0.000	1	124.8126	0.218	5	125.3396	0.597	14	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:3:	6:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	Si[4x6]-6:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<6>,4|H<1>,6|C<3>}	N[5a,6,6](Si[4x6]N[5a,6,6]3O[5]2)(C[5a,6]C[5a]C[6])2{2|H<1>,4|C<4>,8|C<3>}	123.3445	0.245	4	123.3445	0.060	4	123.3445	0.060	4	125.0048	0.831	29	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[6,6,6a]-3:C[5a,6]-3:N[5a,6]-3:	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	N[5a,6,6](C[6,6,6a]C[6,6a]2)(C[5a,6]C[5a]C[6])(N[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	In[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe)	N[5a,6,6](In[4x6]N[5a,6,6]3C[5])(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe){1|In<5>,2|C<4>,4|C<3>,4|H<1>}	N[5a,6,6](In[4x6]N[5a,6,6]3C[5])(C[5a,6]C[5a]C[6])2{1|Fe<10>,2|H<1>,4|C<4>,6|C<3>}	125.6790	0.783	8	125.6790	0.613	8	125.6790	0.613	8	125.7355	0.492	10	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6]	3:3:3:	3:3:4:	5:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:P-4:	Ga[4x6]-5:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	N[5a,6,6](Ga[4x6]N[5a,6,6]3O)(C[5a,6]C[5a]C[6])2{1|P<4>,2|H<1>,7|C<3>}	125.9615	0.049	2	125.9615	0.002	2	125.9615	0.002	2	125.7355	0.492	10	122.4010	8.659	290	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6a,6a]C[6]){2|H<1>,6|C<3>}	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	117.6160	0.000	1	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,7|C<3>}	119.8530	0.000	1	119.6935	0.051	2	119.6057	0.049	3	118.3875	1.054	8	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,7|C<3>}	119.5340	0.000	1	119.6935	0.051	2	119.6057	0.049	3	118.3875	1.054	8	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	N[5a,6,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a]){2|H<1>,6|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.6057	0.049	3	118.3875	1.054	8	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	117.6990	0.201	4	117.6990	0.040	4	117.6990	0.040	4	118.3875	1.054	8	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	118.3875	1.054	8	118.3018	0.988	9	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){2|H<1>,4|C<3>}	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	118.4030	0.000	1	118.4030	0.000	1	118.4030	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	119.0500	0.000	1	119.0500	0.000	1	117.8005	3.123	2	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]S[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	116.5510	0.000	1	116.5510	0.000	1	117.8005	3.123	2	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H){4|C<3>}	N[5a,6](C[6,6a]C[6a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|N<2>,2|H<1>,5|C<3>}	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]O)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>}	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:1:	3:3:3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	118.7400	3.144	8	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:2:	3:3:3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:C-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	N[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<2>,1|H<1>,2|C<3>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:3:	3:3:2:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	119.7280	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,3|C<3>}	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:2:3:	3:3:4:	3:3:3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:2:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]C[6a])(C[5a]N[5a]Rh)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a]){1|Rh<4>,1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]C[6a])(C[5a]N[5a]Rh){1|C<4>,1|H<1>,4|C<3>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	121.0235	0.321	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:2:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	121.0235	0.321	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:2:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:2:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]FF){1|H<1>,2|C<3>,2|F<1>}	121.2720	0.112	2	121.2720	0.012	2	121.2720	0.012	2	121.2720	0.012	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]S){1|N<2>,2|C<3>,4|H<1>}	118.6040	0.052	2	118.6040	0.003	2	118.6040	0.003	2	119.6037	2.999	3	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|O<1>,1|O<2>,4|H<1>}	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	119.6037	2.999	3	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|C<4>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(B[6]N[6]FF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	119.8870	0.000	1	119.8870	0.000	1	119.3070	0.673	2	119.1598	1.846	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(B[6]N[6]FF){1|C<3>,1|N<2>,3|H<1>}	118.7270	0.000	1	118.7270	0.000	1	119.3070	0.673	2	119.1598	1.846	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,4|H<1>}	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	119.1598	1.846	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.5580	0.000	1	119.1598	1.846	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	119.8340	1.415	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:2:2:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	119.8340	1.415	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.6990	0.000	1	118.6990	0.000	1	118.6990	0.000	1	119.2925	0.704	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:2:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[5a,6](C[5a,6]C[5a]C[6])(S[5a]N[5a])(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	119.2925	0.704	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6]S){2|H<1>,3|C<3>}	119.7820	0.081	2	119.7820	0.006	2	118.5580	4.498	3	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]Rh)(C[6]C[6]S){2|H<1>,3|C<3>}	116.1100	0.000	1	116.1100	0.000	1	118.5580	4.498	3	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H){5|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,5a]C[6])(C[5a]C[5,5a]C){2|H<1>,5|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,3|H<1>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	117.9655	0.585	2	117.9655	0.342	2	117.7768	0.389	4	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|F<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	118.1720	0.000	1	117.5880	0.682	2	117.7768	0.389	4	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	117.0040	0.000	1	117.5880	0.682	2	117.7768	0.389	4	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	118.0910	0.000	1	118.0910	0.000	1	118.1960	0.251	9	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Ir)(C[6]C[6]H){2|C<3>,3|H<1>}	118.0465	0.517	6	118.0465	0.268	6	118.1960	0.251	9	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]Re)(C[6]C[6]H){2|C<3>,3|H<1>}	118.6970	0.156	2	118.6970	0.024	2	118.1960	0.251	9	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|N<3>,3|C<3>,3|H<1>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Ir){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.3490	0.000	1	116.3490	0.000	1	116.8695	0.542	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[5,6]C[5,6]C[5])(C[5a]N[5a]Rh){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.3900	0.000	1	117.3900	0.000	1	116.8695	0.542	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){3|H<1>,4|C<3>}	117.3960	0.000	1	117.3960	0.000	1	116.9055	0.481	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]O[6]N){3|C<3>,3|H<1>}	116.4150	0.000	1	116.4150	0.000	1	116.9055	0.481	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]N[6])(C[5a,6]C[5a]C[6]){3|C<3>,3|C<4>,3|H<1>}	118.4570	0.000	1	118.4570	0.000	1	118.4570	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<2>,2|H<1>,4|C<3>}	120.7077	0.639	3	120.6037	0.316	4	120.6037	0.316	4	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]N[5a]Pd){1|O<3>,2|H<1>,4|C<3>}	120.2920	0.000	1	120.6037	0.316	4	120.6037	0.316	4	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	121.1310	0.000	1	121.1310	0.000	1	121.1310	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.4440	0.284	2	121.4440	0.081	2	121.4440	0.081	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.8895	0.787	2	120.8895	0.619	2	120.8895	0.619	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)(C[6]C[6]H){1|B<4>,2|C<3>,2|H<1>}	120.0085	0.518	2	120.0085	0.269	2	120.0085	0.269	2	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	121.4060	0.000	1	121.4060	0.000	1	120.7817	0.252	7	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	120.1830	0.472	2	120.1830	0.223	2	120.7817	0.252	7	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,4|H<1>}	120.8755	0.228	2	120.8755	0.052	2	120.7817	0.252	7	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	120.8360	0.000	1	120.8360	0.000	1	120.7817	0.252	7	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]H){1|C<3>,4|H<1>}	121.1130	0.000	1	121.1130	0.000	1	120.7817	0.252	7	119.2581	2.552	43	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|N<2>,2|H<1>,4|C<3>}	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6,6]C)(B[6]N[5a,6]FF){1|H<1>,2|C<3>,2|C<4>}	120.5220	0.109	2	120.5220	0.012	2	120.5220	0.012	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	121.3997	0.363	4	121.4044	0.222	7	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	120.7000	0.000	1	121.4044	0.222	7	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|H<1>,1|N<3>,5|C<3>}	121.7660	0.421	2	121.4044	0.222	7	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	120.8110	0.000	1	120.8110	0.000	1	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]N)(B[6]N[5a,6]FF){1|H<1>,4|C<3>}	121.0640	0.000	1	121.0640	0.000	1	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]CC){1|H<1>,6|C<3>}	120.9890	0.564	2	120.9890	0.318	2	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	120.8822	0.417	12	120.8822	0.174	12	121.0553	0.220	23	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5,5a]C[5,5a]C[5])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,4|C<3>}	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,1|S<2>,5|C<3>}	119.6105	0.081	2	119.6105	0.007	2	119.8705	0.100	4	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|O<2>,3|C<3>,3|H<1>}	120.1305	0.149	2	120.1305	0.022	2	119.8705	0.100	4	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|C<4>,3|C<3>,3|H<1>}	118.4775	0.199	2	118.4775	0.039	2	118.4775	0.039	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	119.5750	0.000	1	119.5750	0.000	1	119.6625	0.015	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	119.7500	0.000	1	119.7500	0.000	1	119.6625	0.015	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){2|C<3>,4|H<1>}	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	116.9840	0.153	2	116.9840	0.023	2	116.9840	0.023	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[6,6]FF){1|N<3>,3|C<3>,3|H<1>}	123.1290	0.000	1	123.1290	0.000	1	123.1290	0.000	1	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.3190	0.607	3	120.3190	0.369	3	120.3825	0.292	11	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	120.0083	0.304	3	120.0083	0.092	3	120.3825	0.292	11	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,3|H<1>}	120.1290	0.385	2	120.1290	0.148	2	120.3825	0.292	11	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.9893	0.300	3	120.9893	0.090	3	120.3825	0.292	11	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.7530	0.000	1	120.7530	0.000	1	120.9115	0.050	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.0700	0.000	1	121.0700	0.000	1	120.9115	0.050	2	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	120.5261	1.350	53	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	120.9490	0.833	2	120.9490	0.694	2	120.9200	0.349	3	120.9307	0.233	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	120.8620	0.000	1	120.8620	0.000	1	120.9200	0.349	3	120.9307	0.233	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	120.9307	0.233	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]C[5]C)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	120.9860	0.000	1	120.9860	0.000	1	121.1205	0.036	2	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(B[5a]N[5a,5a]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	121.2550	0.000	1	121.2550	0.000	1	121.1205	0.036	2	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]C){1|H<1>,2|C<3>,2|C<4>}	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(B[5a]N[5a,6a]C[5]N)(C[6]C[6]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H)	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,5a]C[6])(B[5a]C[5a,5a]Cl2)(C[6]C[6]H){2|H<1>,3|C<3>}	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	119.9320	0.000	1	119.9320	0.000	1	119.5880	1.299	3	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	120.5160	0.000	1	120.5160	0.000	1	119.5880	1.299	3	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	118.3160	0.000	1	118.3160	0.000	1	119.5880	1.299	3	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,4|C<3>}	121.1015	0.702	4	121.1015	0.492	4	121.1015	0.492	4	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]C[6]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4987	0.359	3	120.3935	0.130	4	120.3935	0.130	4	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.0780	0.000	1	120.3935	0.130	4	120.3935	0.130	4	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:O-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HN)(C[5a]C[5a]Br){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	120.0240	0.000	1	120.0240	0.000	1	120.0240	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]Br){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	120.4800	0.000	1	120.4800	0.000	1	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]N){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	121.8910	0.000	1	121.8910	0.000	1	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8355	0.182	2	120.8186	0.050	7	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7945	0.213	2	120.8186	0.050	7	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.0155	0.029	2	120.8186	0.050	7	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]C){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4390	0.000	1	120.8186	0.050	7	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]2){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	122.1570	0.000	1	122.1570	0.000	1	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[6,6]FF)(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	120.9440	0.000	1	120.9440	0.000	1	121.0184	0.294	11	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,2|Cl<1>,2|C<3>}	119.4870	0.255	2	119.4870	0.065	2	119.3144	0.042	16	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,2|Cl<1>,2|C<3>}	119.2970	0.311	2	119.2970	0.097	2	119.3144	0.042	16	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|Cl<1>,1|H<1>,2|C<3>}	119.3476	0.237	5	119.3476	0.056	5	119.3144	0.042	16	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Cl<1>,2|C<3>,2|H<1>}	119.2272	0.156	6	119.2464	0.023	7	119.3144	0.042	16	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|Cl<1>,1|H<1>,2|C<3>}	119.3620	0.000	1	119.2464	0.023	7	119.3144	0.042	16	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	119.0210	0.000	1	119.0210	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	119.8160	0.000	1	119.8160	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	121.3330	0.000	1	121.3330	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.4530	0.000	1	120.4530	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	119.7957	0.593	4	119.7957	0.352	4	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	120.4400	0.000	1	120.4400	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.2955	0.359	2	120.2955	0.129	2	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.1538	0.502	8	120.1538	0.252	8	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|H<1>,2|C<3>,2|C<4>}	120.0950	0.000	1	120.0950	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.5720	0.000	1	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.6265	0.434	4	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.3470	0.000	1	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.4730	0.285	3	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	119.9832	0.426	5	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	121.2890	0.000	1	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	120.0896	0.389	5	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.4820	0.000	1	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0240	0.000	1	120.2729	0.242	22	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	121.0600	0.000	1	121.0600	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.5345	0.189	4	120.5345	0.036	4	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	119.9260	0.000	1	119.9260	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	118.3340	0.000	1	118.3340	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	120.0075	0.185	2	121.0857	0.857	12	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	121.5880	1.178	5	121.0857	0.857	12	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|H<1>}	121.0790	0.226	4	121.0857	0.857	12	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	120.7570	0.000	1	121.0857	0.857	12	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<3>,3|H<1>}	120.6750	0.000	1	120.6750	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|I<1>,2|C<3>,2|H<1>}	120.5290	0.000	1	120.4543	0.076	3	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|C<3>,3|H<1>}	120.4170	0.379	2	120.4543	0.076	3	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,2|C<3>,2|H<1>}	120.9870	0.000	1	120.9870	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.7000	0.000	1	122.7000	0.000	1	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|O<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|O<2>,2|C<3>,2|H<1>}	120.8470	0.503	2	120.8470	0.253	2	120.4358	0.591	69	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(O){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	120.5405	0.268	4	120.5405	0.072	4	120.5405	0.072	4	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	120.2640	0.000	1	120.2640	0.000	1	120.2640	0.000	1	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6a]C[6])(B[5a]C[5a,6a]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	121.4495	0.153	2	121.4495	0.024	2	121.4495	0.024	2	120.3592	0.727	121	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	120.3390	0.000	2	120.5238	0.065	5	120.7085	0.257	6	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	120.6470	0.270	3	120.5238	0.065	5	120.7085	0.257	6	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6](B[5a]N[5a,5a]C[6a]2)(C[5a,6]C[5a,5a]C[6])(C[6]C[6]H){2|H<1>,2|N<2>,5|C<3>}	121.6320	0.000	1	121.6320	0.000	1	120.7085	0.257	6	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](B[5a]N[5a,6a]C[6a]2)(C[5a,6]C[5a,6a]C[6])(C[6]C[6]H){1|B<3>,2|H<1>,6|C<3>}	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	118.9585	0.626	2	118.9585	0.392	2	118.9585	0.392	2	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5a,6](C[5,6]C[5,5,6]N[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	122.1930	0.000	2	122.1930	0.000	2	121.8974	0.169	5	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[5a,6](C[5,6]C[5,5,6]O[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	121.2660	0.000	1	121.2660	0.000	1	121.8974	0.169	5	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5a,6](C[5,6]C[5,6]C[5]N[5])(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	121.9175	0.322	2	121.9175	0.104	2	121.8974	0.169	5	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a,6](B[6]N[6,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<3>,3|H<1>,5|C<3>}	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	120.4170	0.203	3	120.3895	0.030	4	120.3895	0.030	4	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5,6]C[5,6]C[5]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	120.3070	0.000	1	120.3895	0.030	4	120.3895	0.030	4	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	120.6593	0.061	3	120.6586	0.024	7	120.6586	0.024	7	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	120.6580	0.214	4	120.6586	0.024	7	120.6586	0.024	7	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	120.3907	0.315	6	120.3907	0.099	6	120.3907	0.099	6	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	121.0900	0.000	1	121.0900	0.000	1	121.0293	0.021	3	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](B[6,6]N[5a,6,6]C[6a]O[6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,5|C<3>}	121.1350	0.000	1	121.1350	0.000	1	121.0293	0.021	3	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](B[6,6]N[5a,6,6]O[6]C)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	120.8630	0.000	1	120.8630	0.000	1	121.0293	0.021	3	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,2|H<1>,6|C<3>}	120.7140	0.042	3	120.7140	0.002	3	120.7140	0.002	3	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,6|C<3>}	120.9740	0.000	1	120.9740	0.000	1	120.6065	0.182	4	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]N){1|H<1>,2|C<4>,6|C<3>}	120.9160	0.000	1	120.9160	0.000	1	120.6065	0.182	4	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|H<1>,2|C<4>,4|C<3>}	120.2680	0.291	2	120.2680	0.085	2	120.6065	0.182	4	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:1:	4:3:3:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	B[5,5a]-4:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[5a,6](B[5,5a]C[5a,6a]O[5]2)(C[5a,6]N[5a,6a]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.5135	0.145	2	121.5135	0.021	2	121.5135	0.021	2	120.7377	0.459	44	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	121.0695	1.154	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC){1|C<4>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	121.8290	0.000	1	121.8290	0.000	1	121.8290	0.000	1	121.0695	1.154	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6]-3:C[6,6a]-3:B[5a]-4:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[5a,6](C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6,6a]C[6a])(B[5a]N[5a,5a]FF){1|H<1>,1|N<2>,5|C<3>}	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	119.8964	3.532	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-3:C-2:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[5,6]FF){1|C<2>,1|H<1>,5|C<3>}	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	119.8964	3.532	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C-2:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(B[6]N[6,6]FF){1|C<2>,1|H<1>,5|C<3>}	121.1815	0.086	2	121.1815	0.007	2	121.1815	0.007	2	119.8964	3.532	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6])	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	119.8964	3.532	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	116.8670	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CN)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CN){1|B<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,4|C<3>}	120.2240	0.263	2	120.2240	0.069	2	120.2240	0.069	2	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	119.7635	0.670	2	119.7635	0.448	2	119.1420	0.778	4	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){1|Br<1>,1|Cl<1>,1|O<2>,2|C<3>}	118.5205	0.583	2	118.5205	0.340	2	119.1420	0.778	4	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	119.8467	0.294	3	119.8467	0.086	3	120.2745	0.149	34	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<2>,2|C<3>,2|C<4>}	119.4920	0.237	3	119.4920	0.056	3	120.2745	0.149	34	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	120.4042	0.256	28	120.4042	0.066	28	120.2745	0.149	34	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	119.4675	2.276	2	119.4675	5.181	2	119.4219	2.349	24	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	119.3893	2.123	4	119.3893	4.507	4	119.4219	2.349	24	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	119.7995	2.338	2	119.7995	5.468	2	119.4219	2.349	24	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	119.3771	1.403	16	119.3771	1.969	16	119.4219	2.349	24	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|S<2>,2|C<3>,2|H<1>}	119.7430	0.000	1	120.4475	0.993	2	120.2836	0.583	8	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,1|S<2>,3|C<3>}	121.1520	0.000	1	120.4475	0.993	2	120.2836	0.583	8	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	119.8430	1.010	3	119.8430	1.020	3	120.2836	0.583	8	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:2:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	120.6150	0.203	3	120.6150	0.041	3	120.2836	0.583	8	119.9270	1.117	72	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(C[6]N[5a,6]O){1|N<2>,2|H<1>,4|C<3>}	117.5230	0.000	1	117.5230	0.000	1	117.5230	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6]){3|H<1>,6|C<3>}	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]Re)(C[5a]C[5a]C){2|H<1>,3|C<3>}	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6,6]N[6,6]C[6])(C[5a]N[5a]H){2|H<1>,4|C<3>}	118.2870	0.000	1	118.2870	0.000	1	118.2870	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Rh<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Rh){1|C<4>,1|H<1>,4|C<3>}	119.3000	0.000	1	119.3000	0.000	1	119.6205	0.205	2	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|Ru<8>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]N[6])(C[5a]C[5a]Ru){1|C<4>,1|H<1>,4|C<3>}	119.9410	0.000	1	119.9410	0.000	1	119.6205	0.205	2	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,2|H<1>,4|C<3>}	121.7450	0.000	1	121.7450	0.000	1	121.7753	0.241	3	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	121.3000	0.000	1	121.3000	0.000	1	121.7753	0.241	3	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]C[6a]C[6])(N[5a]C[5a]C){1|I<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]I){1|C<4>,1|H<1>,4|C<3>}	122.2810	0.000	1	122.2810	0.000	1	121.7753	0.241	3	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[5a,6]-3:C[6a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6]C[6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[5a,6]N[5a,6]2)(C[6a]C[6a]2){2|H<1>,9|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]H){1|H<1>,6|C<3>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	120.3102	3.368	11	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C[6a])(B[6]N[5a,6]FF){2|C<4>,5|C<3>}	120.6006	0.406	7	120.6006	0.165	7	120.6006	0.165	7	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	118.5330	0.307	2	118.5330	0.094	2	119.6851	1.955	7	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(B[6]N[5a,6]FF){5|C<3>}	117.6300	0.000	1	117.6300	0.000	1	119.6851	1.955	7	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(B[6]N[5a,6]FF){7|C<3>}	120.7750	0.054	4	120.7750	0.003	4	119.6851	1.955	7	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-4:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a]){1|H<1>,2|O<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6]C[5a,6a]C[6])(S[6]C[6,6a]OO){1|H<1>,6|C<3>}	122.2790	0.000	1	122.2790	0.000	1	122.2790	0.000	1	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	119.5705	0.576	4	119.5705	0.331	4	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[3x6]C[5a])(B[6]N[5a,6]FF){2|H<1>,3|C<3>,3|C<4>}	122.3340	0.277	4	122.3340	0.077	4	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[5])(B[6]N[5a,6]FF){1|N<2>,2|H<1>,4|C<3>}	121.0920	0.078	2	121.0920	0.006	2	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Br<1>,1|H<1>,5|C<3>}	121.8400	0.185	2	121.8912	0.654	19	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){1|Cl<1>,1|H<1>,5|C<3>}	121.5119	0.828	8	121.8912	0.654	19	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	122.2043	0.942	6	121.8912	0.654	19	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	122.3107	0.331	3	121.8912	0.654	19	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	120.9035	0.442	2	120.9935	0.164	4	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[5a])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	121.0835	0.515	2	120.9935	0.164	4	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]N[6])(B[6]N[5a,6]FF){2|C<4>,2|H<1>,3|C<3>}	122.7450	0.000	1	122.7450	0.000	1	121.5428	1.119	34	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO)	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHO){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	121.0880	0.412	2	121.0880	0.169	2	121.0880	0.169	2	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C){2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	117.1800	0.037	2	117.1800	0.001	2	117.1800	0.001	2	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<2>,3|H<1>,4|C<3>}	119.6740	0.000	1	119.6740	0.000	1	119.6740	0.000	1	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){2|F<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]N[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	119.9310	0.000	1	119.9310	0.000	1	120.2950	0.152	6	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	120.5460	0.116	2	120.5460	0.013	2	120.2950	0.152	6	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,5|C<3>}	120.2490	0.491	3	120.2490	0.241	3	120.2950	0.152	6	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6,6])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,6|C<3>}	121.9465	0.537	4	121.9465	0.289	4	121.9465	0.289	4	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	119.4573	0.155	3	119.4573	0.024	3	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	121.0865	0.275	2	121.0865	0.076	2	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	121.9950	0.000	1	121.8415	0.028	4	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	121.6995	0.049	2	121.8415	0.028	4	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	121.9720	0.000	1	121.8415	0.028	4	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,5|C<3>}	122.1734	0.633	5	121.4986	1.547	10	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|H<1>,6|C<3>}	122.2745	0.791	2	121.4986	1.547	10	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){2|H<1>,5|C<3>}	119.8567	0.250	3	121.4986	1.547	10	121.2051	1.434	19	121.0289	1.712	83	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a,6]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a,6]I){2|C<4>,3|C<3>}	120.2385	0.166	4	120.2385	0.028	4	120.2385	0.028	4	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.2860	0.552	2	120.2860	0.304	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0095	0.558	2	120.0095	0.311	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.1115	0.217	2	119.8770	0.183	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.6425	0.530	2	119.8770	0.183	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.9255	0.170	2	120.0113	0.020	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0970	0.040	2	120.0113	0.020	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.4085	0.578	2	120.4085	0.334	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	120.3225	0.357	2	120.3225	0.128	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.9470	0.427	2	120.4778	0.243	8	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.2450	0.887	2	120.4778	0.243	8	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.2320	0.247	2	120.4778	0.243	8	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.4870	0.014	2	120.4778	0.243	8	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.6010	0.976	2	120.4720	0.629	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3430	0.932	2	120.4720	0.629	4	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	121.8280	0.000	1	121.8280	0.000	1	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	119.4940	0.000	1	119.4940	0.000	1	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.4585	0.011	2	121.4585	0.000	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3425	0.217	2	120.3425	0.047	2	120.3600	0.378	34	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|Br<1>,1|N<3>,4|C<3>}	121.0160	0.000	1	121.0160	0.000	1	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	119.9130	0.000	1	120.3792	0.256	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|Br<1>,3|C<3>}	120.4724	0.504	5	120.3792	0.256	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|Br<1>,3|C<3>}	121.1810	0.000	1	121.1810	0.000	1	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|Br<1>,3|C<3>}	121.2890	0.351	2	121.2890	0.123	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.0413	0.215	4	120.0701	0.093	8	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|S<2>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.0990	0.410	4	120.0701	0.093	8	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.9785	0.129	2	119.9785	0.017	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0460	0.247	4	120.0927	0.077	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.1860	0.420	2	120.0927	0.077	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.1495	0.062	4	120.0667	0.041	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.9010	0.335	2	120.0667	0.041	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.3685	0.117	2	120.3092	0.006	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.2795	0.036	4	120.3092	0.006	6	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	119.9290	0.000	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	120.3580	0.000	1	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	119.7535	0.610	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|H<1>,3|C<3>}	120.5395	1.739	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<1>,1|I<1>,3|C<3>}	120.8840	0.605	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	120.2347	0.490	7	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.7900	0.141	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,1|C<4>,3|C<3>}	120.4455	1.059	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.1925	0.175	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0180	0.570	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.1705	0.566	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.9592	0.974	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.6788	0.440	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.1458	0.405	142	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.5250	0.295	7	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.8210	0.276	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Si<4>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0115	0.414	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.8150	0.206	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|I<1>,3|C<3>}	120.1215	0.487	13	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|S<2>,3|C<3>}	120.2120	0.535	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	120.1400	0.411	21	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.6780	0.000	1	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	120.4222	0.514	5	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|N<3>,3|C<3>}	119.9005	0.336	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.2992	0.766	10	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.8540	0.000	1	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.5450	0.000	1	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.8570	0.000	2	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.0780	0.691	4	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.9713	0.430	29	120.1249	0.247	286	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|C<4>,3|C<3>}	119.8053	0.255	4	119.8053	0.065	4	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.2707	0.324	19	120.2453	0.106	21	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.0045	0.322	2	120.2453	0.106	21	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,4|C<3>}	120.0750	0.437	2	120.0750	0.191	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	122.2430	0.000	1	122.2430	0.000	1	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.1070	0.130	2	121.1070	0.017	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.9052	0.085	4	120.9052	0.007	4	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.8195	0.293	2	120.8195	0.086	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.9130	0.180	2	120.9130	0.032	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	121.5405	0.500	2	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	122.1930	0.000	1	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	121.5740	0.258	3	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.5620	0.000	1	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	121.8285	0.231	2	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|S<2>,2|H<1>,4|C<3>}	121.6400	1.021	2	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	121.2000	0.000	1	121.6412	0.190	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	120.6285	0.484	2	121.0772	0.226	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){2|H<1>,3|C<3>}	121.5227	0.383	3	121.0772	0.226	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	120.9173	0.328	6	121.0772	0.226	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Br){1|Br<1>,1|H<1>,3|C<3>}	121.5970	0.000	1	121.0772	0.226	12	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	124.1100	0.000	1	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.3695	0.077	2	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.3090	0.366	2	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.3190	0.000	1	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	120.9394	0.352	22	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	120.6977	0.209	3	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Cl<1>,1|H<1>,3|C<3>}	121.1220	0.419	2	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.6320	0.758	5	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	120.9720	0.696	2	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.3582	0.427	10	121.1895	0.399	50	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	120.9400	0.000	1	120.9587	0.315	11	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){2|H<1>,3|C<3>}	120.8402	0.336	8	120.9587	0.315	11	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|Cl<1>,1|H<1>,3|C<3>}	121.4420	1.334	2	120.9587	0.315	11	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	119.9200	0.000	1	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Br<1>,1|H<1>,3|C<3>}	121.0943	1.052	3	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>}	120.8460	0.000	1	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	120.6210	0.000	1	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,1|I<1>,3|C<3>}	120.2150	0.394	4	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	120.9648	0.461	11	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	120.8990	0.298	5	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|H<1>,4|C<3>}	120.7980	0.000	1	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	121.0760	0.076	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.5838	0.121	4	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.8665	0.261	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.8265	0.268	6	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.8840	0.904	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.5988	0.343	18	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<2>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.7287	0.318	4	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.7151	0.732	15	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3030	0.853	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.4690	0.028	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.6499	0.463	70	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.5920	0.133	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<2>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.6810	0.218	2	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3062	0.625	5	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|Si<4>,1|H<1>,3|C<3>}	121.1610	0.000	1	120.6773	0.237	164	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	120.8100	0.000	1	121.8351	0.571	8	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	121.9816	0.682	7	121.8351	0.571	8	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	120.3730	0.000	1	121.0560	0.304	4	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]O){2|H<1>,3|C<3>}	121.2837	0.382	3	121.0560	0.304	4	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Pd){1|Br<1>,1|H<1>,3|C<3>}	121.9495	0.391	2	121.9495	0.153	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){2|H<1>,3|C<3>}	122.2250	0.000	1	122.2250	0.000	1	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.0495	0.436	2	121.0495	0.190	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,2|S<2>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]S){1|Br<1>,1|S<2>,3|C<3>}	120.7910	0.641	2	120.7910	0.410	2	120.4835	0.440	630	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.3760	0.000	1	119.8195	0.393	2	120.1023	0.437	3	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.2630	0.000	1	119.8195	0.393	2	120.1023	0.437	3	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|N<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5,6]FF)(C[5a]C[5a]N){2|H<1>,3|C<3>}	120.6680	0.000	1	120.6680	0.000	1	120.1023	0.437	3	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.4677	0.695	4	120.3431	0.431	7	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.9750	0.000	1	120.3431	0.431	7	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,4|C<3>}	119.7780	0.199	2	120.3431	0.431	7	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.6797	0.251	3	119.8472	0.073	6	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.0147	0.186	3	119.8472	0.073	6	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3575	0.214	2	120.3575	0.046	2	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|H<1>,3|C<3>}	121.2100	0.587	4	121.2100	0.345	4	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.1460	0.000	1	120.3096	0.439	23	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3170	0.678	22	120.3096	0.439	23	120.3372	0.444	42	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:Si[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Si[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<4>,3|C<3>}	121.0495	0.080	2	121.0495	0.006	2	121.0495	0.006	2	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2){1|B<4>,2|C<4>,8|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.9560	0.000	1	119.9560	0.000	1	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6])	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.9560	0.059	2	119.9560	0.004	2	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|Br<1>,1|C<4>,3|C<3>}	119.9280	0.000	1	119.9497	0.092	10	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.8550	0.000	1	119.9497	0.092	10	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	120.0930	0.234	4	119.9497	0.092	10	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	119.7990	0.494	2	119.9497	0.092	10	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	119.8720	0.519	2	119.9497	0.092	10	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){2|H<1>,3|C<3>}	120.3418	0.268	4	120.3418	0.072	4	120.0431	0.095	17	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCC)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NCC){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	119.4880	1.960	2	119.4880	3.842	2	119.6897	1.396	32	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	119.6887	1.538	6	119.6887	2.366	6	119.6897	1.396	32	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	119.8248	1.105	20	119.8248	1.220	20	119.6897	1.396	32	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NHN){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	119.5325	1.398	2	119.5325	1.954	2	119.6897	1.396	32	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NOO)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NOO){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]2){2|H<1>,2|N<3>,3|C<3>}	118.7010	0.054	2	118.7010	0.003	2	119.6897	1.396	32	120.4262	0.494	765	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	123.9748	0.258	6	124.0639	0.073	12	124.0639	0.073	12	124.6088	0.427	24	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:Ga[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(Ga[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	124.1530	0.274	6	124.0639	0.073	12	124.0639	0.073	12	124.6088	0.427	24	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>,5|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,1|C<2>,1|H<1>}	125.4712	0.368	4	125.1537	0.172	12	125.1537	0.172	12	124.6088	0.427	24	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	125.4710	0.191	2	125.1537	0.172	12	125.1537	0.172	12	124.6088	0.427	24	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:6:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:In[3x6]-6:C[5a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|F<1>,2|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(In[3x6]N[5a,6]5)(C[5a]C[5a]H){11|C<3>,2|H<1>}	124.8362	0.220	6	125.1537	0.172	12	125.1537	0.172	12	124.6088	0.427	24	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){2|H<1>,9|C<3>}	122.4900	0.000	1	122.4900	0.000	1	121.6065	1.561	2	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,7|C<3>}	120.7230	0.000	1	120.7230	0.000	1	121.6065	1.561	2	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	120.3575	0.097	2	120.1286	0.049	7	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	120.0370	0.185	5	120.1286	0.049	7	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,5|C<3>}	120.7460	0.221	2	120.7460	0.049	2	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	120.9130	0.156	2	120.9130	0.024	2	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]2){1|N<3>,2|H<1>,6|C<3>}	119.2675	0.589	2	119.2675	0.347	2	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|H<1>,5|C<3>}	120.0890	0.165	2	120.0890	0.027	2	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]O)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	120.9955	0.955	2	120.9955	0.913	2	120.2895	0.387	17	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	Si[4,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	N[5a,6](Si[4,6]N[5a,6]C[4]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<3>,3|C<4>,4|H<1>}	120.7249	0.273	10	120.7249	0.074	10	120.7249	0.074	10	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	Si[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	N[5a,6](Si[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,7|C<3>}	120.2725	0.053	2	120.2725	0.003	2	120.2725	0.003	2	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[5,6]C[5,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	120.5570	0.030	2	120.5570	0.001	2	120.8458	0.647	6	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](B[5,6]N[5a,6]O[5]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	120.9903	0.997	4	120.9903	0.994	4	120.8458	0.647	6	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	121.1305	0.576	12	121.1305	0.331	12	120.9842	0.474	16	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){2|H<1>,5|C<3>}	120.5452	0.901	4	120.5452	0.812	4	120.9842	0.474	16	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	B[6,6a]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	N[5a,6](B[6,6a]C[6a,6a]2N[5a,6])(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,7|C<3>}	120.2325	0.197	2	120.2325	0.039	2	120.2325	0.039	2	120.6767	0.473	55	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]Ir){2|C<3>,2|C<4>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	118.9606	6.602	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6a]-3:C[6,6a]-3:C[5a,6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6]){1|C<4>,2|H<1>,5|C<3>}	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	118.9606	6.602	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:Si-4:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|Si<4>,3|C<3>,3|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.6240	0.000	1	118.9606	6.602	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	118.1910	0.000	1	118.1910	0.000	1	118.1910	0.000	1	118.9606	6.602	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	120.6720	0.000	1	120.6720	0.000	1	120.6720	0.000	1	118.9606	6.602	5	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[5a]-3:B[6]-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[5a])(B[6]N[5a,6]FF){1|C<4>,1|N<3>,5|C<3>}	121.2155	0.071	2	121.2155	0.005	2	121.2155	0.005	2	119.3249	0.926	18	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.2832	0.393	6	119.2832	0.155	6	119.0886	0.513	16	119.3249	0.926	18	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]2)(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|H<1>,2|S<2>,3|C<3>}	119.4065	0.958	2	119.4065	0.918	2	119.0886	0.513	16	119.3249	0.926	18	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,5a]-3:C[5a,6]-3:B[6]-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,5a]C[5a,5a]C[5a])(C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.8631	0.859	8	118.8631	0.738	8	119.0886	0.513	16	119.3249	0.926	18	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	119.5600	0.358	2	119.5600	0.128	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|I<1>,2|C<3>,2|C<4>}	120.6205	0.592	2	120.6205	0.350	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]CC)(C[5a]C[5a]C){2|C<3>,3|C<4>}	120.5045	0.549	2	120.5045	0.302	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	120.4325	0.045	2	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	120.5620	0.193	4	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|N<3>,2|C<3>,2|C<4>}	120.2600	0.000	1	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	119.9400	0.000	1	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<3>,3|C<4>}	120.6890	0.000	1	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){2|C<4>,3|C<3>}	120.0030	0.385	2	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	120.6870	0.000	1	120.3912	0.098	12	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FO)(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	120.5330	0.113	2	120.5330	0.013	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]OO)(C[5a]C[5a]C){1|C<2>,2|C<3>,2|C<4>}	120.5825	0.322	2	120.5825	0.104	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC3){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	121.3815	0.083	2	121.3815	0.007	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	120.5630	0.506	2	120.5630	0.256	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]Cl){1|C<4>,2|C<3>,2|H<1>}	121.1685	0.269	4	121.1685	0.073	4	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	120.3525	0.207	2	120.3525	0.043	2	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	121.1074	0.191	8	121.1074	0.036	8	120.6606	0.257	40	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe){1|B<4>,2|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	120.6027	0.539	6	120.6027	0.291	6	120.6027	0.291	6	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:B[6]-4:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H)	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H){1|B<4>,3|C<4>,4|H<1>,5|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(B[6]N[5a,6]FF)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	120.5025	0.812	2	120.5025	0.660	2	120.5025	0.660	2	120.6467	0.260	48	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	B[5a,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[5a,6]N[5a,6]O[5a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	120.2465	0.412	2	120.2465	0.170	2	120.2465	0.170	2	120.2248	0.039	10	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	120.2620	0.068	2	120.2620	0.005	2	120.2194	0.026	8	120.2248	0.039	10	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]2)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,6|C<3>}	120.2485	0.173	4	120.2485	0.030	4	120.2194	0.026	8	120.2248	0.039	10	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:4:	4:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	B[6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	N[5a,6](B[6]N[5a,6]C[6a]F)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){3|C<4>,4|C<3>}	120.1185	0.238	2	120.1185	0.057	2	120.2194	0.026	8	120.2248	0.039	10	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]N)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	123.8880	0.000	1	123.8880	0.000	1	123.8880	0.000	1	123.8880	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	121.1705	0.074	2	121.1705	0.006	2	121.1705	0.006	2	120.9253	0.223	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	120.2200	0.000	1	120.2200	0.000	1	120.6800	0.423	2	120.9253	0.223	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.1400	0.000	1	121.1400	0.000	1	120.6800	0.423	2	120.9253	0.223	4	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:3:	3:4:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8730	0.197	2	118.8730	0.039	2	118.8730	0.039	2	118.8730	0.039	2	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP2	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:4:3:	4:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6]-4:C-3:	C[6,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	N[5a,6](C[6,6]C[5a,6]C[6,6]H)(C[5a,6]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	120.4568	1.229	1401	120.6327	3.795	1781
727	762	813	6:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]N[5a,6]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	120.5770	0.000	1	120.4080	0.057	2	120.4080	0.057	2
727	762	813	6:SP2_SP2_SP3	C[5a,6]	C[6]	N[5a,6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:P[6]-4:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(P[6]N[5a,6]OO)(C[5a]C[5a]2){1|N<3>,2|H<1>,4|C<3>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.4080	0.057	2	120.4080	0.057	2